Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1087168

CN(CCCN(C)Cc1ccccc1)Cc1ccccc1.Cl.Cl

nearest known ligand 0.71

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 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 known ✓ Q99720 4/20 0.71
▸ MAOB known ✓ P27338 5/20 0.57
▸ MAOA known ✓ P21397 2/20 0.57
▸ ACHE known ✓ P22303 5/20 0.57
▸ CARM1 Q86X55 1/20 0.67
▸ PRMT6 Q96LA8 1/20 0.67
▸ PRMT8 Q9NR22 1/20 0.67
▸ LMNA P02545 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ BLM P54132 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ TSHR P16473 2/20 0.56
▸ TMEM97 Q5BJF2 1/20 0.54
▸ KDM4A O75164 1/20 0.54
▸ KDM4C Q9H3R0 1/20 0.54
▸ USP2 O75604 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ PYCR1 P32322 1/20 0.53

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
SCHEMBL1088446 0.98 SIGMAR1 (0.74) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL12359495 0.91 SIGMAR1 (0.67) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL7225346 0.91 SIGMAR1 (0.85) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL29733117 0.91 SIGMAR1 (0.85) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL15790823 0.90 SIGMAR1 (0.65) SIGMAR1CARM1PRMT6PRMT8MAOB
SCHEMBL7055109 0.88 CARM1 (0.75) SIGMAR1CARM1PRMT6PRMT8MAOB
Hydrochloric Acid SCHEMBL1593475 0.88 SIGMAR1 (0.62) SIGMAR1CARM1PRMT6PRMT8MAOB
Hydrochloric Acid SCHEMBL18730544 0.88 CARM1 (0.75) SIGMAR1CARM1PRMT6PRMT8MAOB
Hydrochloric Acid SCHEMBL29778332 0.88 SIGMAR1 (0.73) SIGMAR1CARM1PRMT6PRMT8MAOB
Hydrochloric Acid SCHEMBL27998890 0.88 SIGMAR1 (0.62) SIGMAR1CARM1PRMT6PRMT8MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172422-A1 Methods of Treatment Using a Prodrug of an Excitatory Amino Acid ELI LILLY AND COMPANY (US) 2012-07-05 — — US disclosed
US-8153683-B2 Methods of treatment using a prodrug of an excitatory amino acid ELI LILLY AND COMPANY (US) 2012-04-10 — — US disclosed
US-20110207672-A1 METHODS OF TREATMENT USING A PRODRUG OF AN EXCITATORY AMINO ACID ELI LILLY AND COMPANY (US) 2011-08-25 — — US disclosed
US-7964632-B2 Methods of treatment using a prodrug of an excitatory amino acid ELI LILLY AND COMPANY (US) 2011-06-21 — — US disclosed
US-20100113579-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2010-05-06 — — US disclosed
US-7671082-B2 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2010-03-02 — — US disclosed
US-20080182889-A1 PRODRUGS OF EXCITATORY AMINO ACIDS MOHER ERIC DAVID 2008-07-31 — — US disclosed
US-7371872-B2 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2008-05-13 — — US disclosed
EP-1897550-A2 Prodrugs of Excitatory Amino Acids Eli Lilly & Company (US) 2008-03-12 — — EP disclosed
US-20050222231-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2005-10-06 — — 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 (5 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-20120172422-A1 Methods of Treatment Using a Prodrug of an Excitatory Amino Acid SLC1A2, SLC1A1, SLC1A3 SIGMAR1 980/4885MAOB 287/4885MAOA 286/4885
US-20100113579-A1 PRODRUGS OF EXCITATORY AMINO ACIDS SLC1A2, SLC1A1, SLC1A3 SIGMAR1 1244/4885MAOB 352/4885MAOA 289/4885
US-20110207672-A1 METHODS OF TREATMENT USING A PRODRUG OF AN EXCITATORY AMINO ACID SLC1A2, SLC1A1, SLC1A3 SIGMAR1 980/4885MAOB 287/4885MAOA 286/4885
US-20050222231-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A1, SLC1A3 SIGMAR1 1244/4885MAOB 352/4885MAOA 289/4885
US-20080182889-A1 PRODRUGS OF EXCITATORY AMINO ACIDS SLC1A2, SLC1A1, SLC1A3 SIGMAR1 1244/4885MAOB 352/4885MAOA 289/4885

“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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