Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7422737

CNC(=O)[C@@H](N)CC(C)C.Cl

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 15)

geneUniProtsupporting neighboursconfidence
MMP8 known ✓ P22894 2/20 0.39
SLC7A5 Q01650 1/20 0.54
AAK1 Q2M2I8 3/20 0.46
LARS1 Q9P2J5 3/20 0.45
ANPEP P15144 3/20 0.44
RNPEP Q9H4A4 2/20 0.44
DNPEP Q9ULA0 2/20 0.44
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
CIT O14578 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
KISS1R Q969F8 2/20 0.37

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 SCHEMBL6941161 1.00 SLC7A5 (0.54) SLC7A5AAK1LARS1ANPEPRNPEP
Hydrochloric Acid SCHEMBL7422736 1.00 SLC7A5 (0.54) SLC7A5AAK1LARS1ANPEPRNPEP
SCHEMBL2715188 0.98 SLC7A5 (0.56) SLC7A5AAK1LARS1ANPEPRNPEP
SCHEMBL836565 0.98 SLC7A5 (0.56) SLC7A5AAK1LARS1ANPEPRNPEP
SCHEMBL1174387 0.98 SLC7A5 (0.56) SLC7A5AAK1LARS1ANPEPRNPEP
SCHEMBL23056597 0.84 SLC7A5 (0.47) SLC7A5AAK1LARS1ANPEPRNPEP
Hydrochloric Acid SCHEMBL8624053 0.80 SLC7A5 (0.52) SLC7A5AAK1LARS1ANPEPRNPEP
Hydrochloric Acid SCHEMBL8624056 0.80 SLC7A5 (0.52) SLC7A5AAK1LARS1ANPEPRNPEP
SCHEMBL8768451 0.80 SLC7A5 (0.52) SLC7A5AAK1LARS1ANPEPRNPEP
SCHEMBL23422900 0.79 SLC7A5 (0.42) SLC7A5AAK1LARS1ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110753690-B Pyridine derivatives 豪夫迈·罗氏有限公司 2023-12-05 CN disclosed
CN-116102449-A Phenyl derivatives as cannabinoid receptor 2 agonists 豪夫迈·罗氏有限公司 2023-05-12 CN disclosed
EP-3642200-B1 PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-03 EP disclosed
CN-108349901-B Phenyl derivatives as cannabinoid receptor 2 agonists 豪夫迈·罗氏有限公司 2022-08-16 CN disclosed
US-11339120-B2 Phenyl derivatives as cannabinoid receptor 2 agonists HOFFMANN-LA ROCHE INC. (US) 2022-05-24 US disclosed
US-20220064178-A1 PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-03-03 US disclosed
US-11117903-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-09-14 US disclosed
US-20210171441-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2021-06-10 US disclosed
US-20200239490-A1 PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-07-30 US disclosed
EP-3642200-A1 PYRIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2020-04-29 EP disclosed
US-9290451-B2 2016-03-22 US disclosed
EP-2718266-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 US disclosed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-5672583-A Carboxy-peptidyl derivatives as antidegenerative active agents MERCK & CO., INC. (US) 1997-09-30 US disclosed
EP-0671911-A4 CARBOXY-PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS. MERCK & CO INC (US) 1996-08-21 EP disclosed
EP-0671911-A1 CARBOXY-PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO. INC. (US) 1995-09-20 EP disclosed
WO-1994012169-A1 CARBOXY-PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed
US-4568666-A COLLAGENASE INHIBITORS, ANTIARTJRITIC AGENTS G. D. SEARLE & CO. (US) 1986-02-04 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 (7 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-20210171441-A1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS CNR2, CNR1, GPR18 MMP8 4835/4885SLC7A5 4164/4885AAK1 681/4885
US-20220064178-A1 PYRIDINE DERIVATIVES NDUFS6, NDUFS3, CYP11B2 MMP8 4537/4885SLC7A5 4036/4885AAK1 2559/4885
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 MMP8 4634/4885SLC7A5 2449/4885AAK1 2948/4885
US-20200239490-A1 PYRIDINE DERIVATIVES NDUFS6, NDUFS3, CYP11B2 MMP8 4537/4885SLC7A5 4036/4885AAK1 2559/4885
US-11117903-B2 Pyridine derivatives NDUFS6, NDUFS3, CYP11B2 MMP8 4537/4885SLC7A5 4036/4885AAK1 2559/4885
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES CNR2, CNR1, GPR174 MMP8 4865/4885SLC7A5 3557/4885AAK1 919/4885
US-11339120-B2 Phenyl derivatives as cannabinoid receptor 2 agonists CNR2, CNR1, GPR18 MMP8 4835/4885SLC7A5 4164/4885AAK1 681/4885

“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.