Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6161045

CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)C(C)(C)N)CC2.Cl

nearest known ligand 0.46

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 17)

geneUniProtsupporting neighboursconfidence
GHSR known ✓ Q92847 6/20 0.46
OPRM1 known ✓ P35372 1/20 0.46
ACE known ✓ P12821 1/20 0.42
P2RY12 known ✓ Q9H244 1/20 0.40
BCHE known ✓ P06276 1/20 0.40
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
UGCG Q16739 2/20 0.42
CYP3A4 P08684 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
PKM P14618 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
F2 P00734 2/20 0.40

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 SCHEMBL6161046 1.00 GHSR (0.46) GHSROPRM1CA12CA1CA9
SCHEMBL6163982 0.99 GHSR (0.46) GHSROPRM1CA12CA1CA9
SCHEMBL6163995 0.99 GHSR (0.46) GHSROPRM1CA12CA1CA9
Hydrochloric Acid SCHEMBL6162564 0.92 GHSR (0.49) GHSROPRM1CA12CA1CA9
Hydrochloric Acid SCHEMBL6162898 0.92 GHSR (0.49) GHSROPRM1CA12CA1CA9
SCHEMBL6165098 0.91 GHSR (0.49) GHSROPRM1CA12CA1CA9
SCHEMBL6165094 0.91 GHSR (0.49) GHSROPRM1CA12CA1CA9
Hydrochloric Acid SCHEMBL6161152 0.87 ALDH1A1 (0.47) GHSROPRM1UGCGCYP3A4ACE
Hydrochloric Acid SCHEMBL6161150 0.87 ALDH1A1 (0.47) GHSROPRM1UGCGCYP3A4ACE
Hydrochloric Acid SCHEMBL6162247 0.86 GHSR (0.51) GHSROPRM1UGCGCYP3A4ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984947-B8 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN CO LLC (US) 2005-06-15 EP claimed
EP-0984947-B1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY UPJOHN CO (US) 2005-04-20 EP claimed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP claimed
US-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality PHARMACIA & UPJOHN COMPANY 2002-02-07 US claimed
US-20010041728-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality HESTER JACKSON B (US) 2001-11-15 US claimed
EP-0984947-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 2000-03-15 EP claimed
WO-1998054161-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 1998-12-03 WO claimed
EP-0984947-B8 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN CO LLC (US) 2005-06-15 EP disclosed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-6537986-B2 With thiourea, thioamide, or dithiocarbamate functionality; (S)-N-(((3-(3-fluoro-4-morpholinyl)phenyl)-2-oxo-5 -oxazolidinyl)methyl)thioacetamide for example; treats multiple-resistant staphylococci PHARMACIA & UPJOHN COMPANY 2003-03-25 US disclosed
US-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US disclosed
US-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality PHARMACIA & UPJOHN COMPANY 2002-02-07 US disclosed
US-6342513-B1 THIOCARBONYLAMIDES ON OXAZO-, ISOOXAZOLE OR FURANONE RINGS FOR USE AS BACTERICIDES PHARMACIA AND UPJOHN COMPANY 2002-01-29 US disclosed
EP-1133493-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 2001-09-19 EP disclosed
US-6218413-B1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality PHARMACIA & UPJOHN COMPANY 2001-04-17 US disclosed
WO-2000032599-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 2000-06-08 WO disclosed
EP-0984947-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 2000-03-15 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
WO-1998054161-A9 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY UPJOHN CO (US) 1999-04-08 WO disclosed
WO-1998054161-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 1998-12-03 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 (2 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-20010041728-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality OXA1L, MRPL21, TOP1 GHSR 2807/4885OPRM1 1613/4885ACE 2195/4885
US-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality OXA1L, MRPL21, TOP1 GHSR 2807/4885OPRM1 1613/4885ACE 2195/4885

“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.