Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16039790

COC(=O)/C=C/C(=O)OCCN1CCC(F)(F)C1.Cl

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 known ✓ Q9Y5N1 2/20 0.33
▸ HTR2A known ✓ P28223 1/20 0.31
▸ HTR2C known ✓ P28335 1/20 0.31
▸ SLC6A4 known ✓ P31645 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HCAR2 Q8TDS4 3/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ ATM Q13315 1/20 0.33
▸ MCHR1 Q99705 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ METAP2 P50579 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL16039791 1.00 KDM4E (0.37) KDM4EALDH1A1HPGDHCAR2KEAP1
SCHEMBL16038869 0.99 HCAR2 (0.36) KDM4EALDH1A1HPGDHCAR2KEAP1
SCHEMBL16038868 0.99 HCAR2 (0.36) KDM4EALDH1A1HPGDHCAR2KEAP1
Hydrochloric Acid SCHEMBL15512408 0.92 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHCAR2KEAP1
Hydrochloric Acid SCHEMBL15512407 0.92 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHCAR2KEAP1
SCHEMBL15512770 0.90 KDM4E (0.39) KDM4EALDH1A1HPGDHCAR2KEAP1
SCHEMBL15499958 0.90 KDM4E (0.39) KDM4EALDH1A1HPGDHCAR2KEAP1
Hydrochloric Acid SCHEMBL28392698 0.85 ATM (0.39) HCAR2HRH3ATMCYP2D6SLC6A4
SCHEMBL20220658 0.83 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHCAR2KEAP1
SCHEMBL28392778 0.83 ATM (0.40) HCAR2HRH3ATMCYP2D6SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4230264-B1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES ALKERMES PHARMA IRELAND LTD (IE) 2026-01-28 — — EP disclosed
EP-2970101-B2 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES ALKERMES PHARMA IRELAND LTD (IE) 2025-09-03 — — EP disclosed
US-20250127747-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2025-04-24 — — US disclosed
US-20250057770-A1 Monomethylfumarate Prodrug Compositions JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2025-02-20 — — US disclosed
US-12076306-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2024-09-03 — — US disclosed
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2024-01-25 — — US disclosed
EP-4230264-A2 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES Alkermes Pharma Ireland Limited (IE) 2023-08-23 — — EP disclosed
EP-3366668-B1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES ALKERMES PHARMA IRELAND LTD (IE) 2023-06-21 — — EP disclosed
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2023-06-20 — — US disclosed
US-20220257520-A1 MONOMETHYLFUMARATE PRODRUG COMPOSITIONS ALKERMES PHARMA IRELAND LTD (IE) 2022-08-18 — — US disclosed
US-20180064673-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-03-08 — — US disclosed
US-20180042881-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-02-15 — — US disclosed
US-9775823-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2017-10-03 — — US disclosed
US-20170095439-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-04-06 — — US disclosed
US-9505776-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2016-11-29 — — US disclosed
WO-2016124960-A1 MONOMETHYLFUMARATE PRODRUG COMPOSITIONS ALKERMES PHARMA IRELAND LIMITED (IE) 2016-08-11 — — WO disclosed
US-20160228376-A1 MONOMETHYLFUMARATE PRODRUG COMPOSITIONS MORGAN STANLEY SENIOR FUNDING, INC. 2016-08-11 — — US disclosed
EP-2970101-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES Alkermes Pharma Ireland Limited (IE) 2016-01-20 — — EP disclosed
WO-2014152494-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES ALKERMES PHARMA IRELAND LIMITED (IE) 2014-09-25 — — WO disclosed
US-20140275048-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES ALKERMES PHARMA IRELAND LIMITED (IE) 2014-09-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140275048-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HRH3 3716/4885HTR2A 3734/4885HTR2C 3910/4885
US-20220257520-A1 MONOMETHYLFUMARATE PRODRUG COMPOSITIONS DHFR, FPGS, G6PD HRH3 2702/4885HTR2A 1913/4885HTR2C 1775/4885
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HRH3 3716/4885HTR2A 3734/4885HTR2C 3910/4885
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 HRH3 3716/4885HTR2A 3734/4885HTR2C 3910/4885
US-20250057770-A1 Monomethylfumarate Prodrug Compositions DHFR, FPGS, G6PD HRH3 2702/4885HTR2A 1913/4885HTR2C 1775/4885
US-12076306-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HRH3 3716/4885HTR2A 3734/4885HTR2C 3910/4885
US-20160228376-A1 MONOMETHYLFUMARATE PRODRUG COMPOSITIONS DHFR, FPGS, G6PD HRH3 2702/4885HTR2A 1913/4885HTR2C 1775/4885
US-20250127747-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 HRH3 3716/4885HTR2A 3734/4885HTR2C 3910/4885
US-20180042881-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HRH3 3716/4885HTR2A 3734/4885HTR2C 3910/4885
US-20180064673-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HRH3 3716/4885HTR2A 3734/4885HTR2C 3910/4885
US-20170095439-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HRH3 3716/4885HTR2A 3734/4885HTR2C 3910/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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