Hydrochloric Acid

Hydrochloric Acid

SCHEMBL19385069

Cl.N=C(N)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.54

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 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 known ✓ Q9H228 1/20 0.53
▸ SCN4A known ✓ P35499 2/20 0.51
▸ ACHE known ✓ P22303 2/20 0.49
▸ BCHE known ✓ P06276 1/20 0.49
▸ GAA known ✓ P10253 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ BACE1 P56817 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CCR3 P51677 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL19385016 0.98 S1PR5 (0.54) S1PR5ALDH1A1SCN4AMEN1TSHR
Hydrochloric Acid SCHEMBL310978 0.91 MEN1 (0.56) ALDH1A1MEN1TSHRKMT2AACHE
SCHEMBL1135840 0.89 MEN1 (0.57) ALDH1A1MEN1TSHRKMT2AACHE
Hydrochloric Acid SCHEMBL8687746 0.85 S1PR5 (0.53) S1PR5ALDH1A1SCN4AMEN1TSHR
SCHEMBL8688396 0.83 S1PR5 (0.54) S1PR5ALDH1A1SCN4AMEN1TSHR
SCHEMBL6286609 0.83 GAA (0.63) S1PR5ALDH1A1SCN4AMEN1TSHR
SCHEMBL2450749 0.83 GAA (0.63) S1PR5ALDH1A1SCN4AMEN1TSHR
SCHEMBL6284121 0.83 GAA (0.63) S1PR5ALDH1A1SCN4AMEN1TSHR
Hydrochloric Acid SCHEMBL892739 0.81 S1PR5 (0.75) S1PR5ALDH1A1SCN4AMEN1TSHR
Hydrochloric Acid SCHEMBL892740 0.81 S1PR5 (0.75) S1PR5ALDH1A1SCN4AMEN1TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11945797-B2 1-cyano-pyrrolidine derivatives as dub inhibitors MISSION THERAPEUTICS LIMITED (GB) 2024-04-02 — — US disclosed
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2022-06-09 — — US disclosed
US-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors MISSION THERAPEUTICS LIMITED (GB) 2022-06-07 — — US disclosed
EP-3433246-B1 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-05-04 — — EP disclosed
CN-108884068-B 1-cyano-pyrrolidine derivatives as DUB inhibitors 特殊治疗有限公司 2021-02-26 — — CN disclosed
US-20200331888-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 — — US disclosed
EP-3433246-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS Mission Therapeutics Limited (GB) 2019-01-30 — — EP disclosed
WO-2017163078-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2017-09-28 — — WO 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 (4 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-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors USP30, USP28, USP1 S1PR5 4706/4885SCN4A 3712/4885ACHE 1936/4885
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS USP30, USP28, USP1 S1PR5 4706/4885SCN4A 3712/4885ACHE 1936/4885
US-11945797-B2 1-cyano-pyrrolidine derivatives as dub inhibitors USP30, USP28, USP1 S1PR5 4706/4885SCN4A 3712/4885ACHE 1936/4885
US-20200331888-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS USP30, USP28, USP1 S1PR5 4706/4885SCN4A 3712/4885ACHE 1936/4885

“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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