Hydrochloric Acid

Hydrochloric Acid

SCHEMBL987303

CCOC(=O)CC(CN)c1ccccc1.Cl

nearest known ligand 0.60

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
MMP8 known ✓ P22894 1/20 0.44
DRD3 known ✓ P35462 1/20 0.44
GABBR2 O75899 5/20 0.60
GABBR1 Q9UBS5 5/20 0.60
F2 P00734 4/20 0.56
ALDH1A1 P00352 2/20 0.52
F10 P00742 4/20 0.50
TSHR P16473 2/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRSS1 P07477 1/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
PIN1 Q13526 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL5319563 0.98 GABBR2 (0.62) GABBR2GABBR1F2ALDH1A1F10
SCHEMBL232194 0.89 F2 (0.59) GABBR2GABBR1F2ALDH1A1F10
Hydrochloric Acid SCHEMBL27921429 0.88 GABBR2 (0.54) GABBR2GABBR1F2ALDH1A1F10
SCHEMBL5320904 0.86 GABBR2 (0.58) GABBR2GABBR1F2ALDH1A1F10
Hydrochloric Acid SCHEMBL7136803 0.85 F2 (0.58) GABBR2GABBR1F2ALDH1A1F10
Hydrochloric Acid SCHEMBL7136799 0.85 F2 (0.58) GABBR2GABBR1F2ALDH1A1F10
Hydrochloric Acid SCHEMBL7857104 0.85 F2 (0.58) GABBR2GABBR1F2ALDH1A1F10
SCHEMBL4405154 0.85 F2 (0.56) F2ALDH1A1F10TSHRCYP1A2
SCHEMBL30040482 0.85 F2 (0.56) F2ALDH1A1F10TSHRCYP1A2
Hydrochloric Acid SCHEMBL7137209 0.85 GABBR2 (0.60) GABBR2GABBR1F2ALDH1A1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456309-B1 Azabicyclo[3.2.1]octyl derivatives for use in the treatment of HIV. GLAXOSMITHKLINE LLC (US) 2015-12-23 EP disclosed
US-8592395-B2 Therapeutic compounds GLAXOSMITHKLINE LLC (US) 2013-11-26 US disclosed
US-8586623-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-11-19 US disclosed
EP-1891042-B1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA SA (BE) 2013-10-02 EP disclosed
US-8518943-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-08-27 US disclosed
EP-2586772-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-05-01 EP disclosed
US-20130096310-A1 ISOQUINOLINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-04-18 US disclosed
US-20120295877-A1 Therapeutic Compounds GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
US-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-23 US disclosed
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-02 US disclosed
US-8178533-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2012-05-15 US disclosed
EP-2308867-A2 2-oxo-1-pyrrolidine deriatives, processes for preparing them and their uses UCB Pharma S.A. (BE) 2011-04-13 EP disclosed
EP-2308870-A2 2-oxo-1-pyrrolidine deriatives, processes for preparing them and their uses UCB Pharma S.A. (BE) 2011-04-13 EP disclosed
WO-2011011652-A1 THERAPEUTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-01-27 WO disclosed
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2009-12-17 US disclosed
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES UCB, S.A. (BE) 2009-06-18 US disclosed
EP-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 EP disclosed
EP-1891042-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB Pharma, S.A. (BE) 2008-02-27 EP disclosed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO disclosed
WO-2006128693-A2 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 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 (6 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-20120295877-A1 Therapeutic Compounds CCR5, CCR1, CXCR3 MMP8 1271/4885DRD3 2231/4885GABBR2 1895/4885
US-20130096310-A1 ISOQUINOLINE DERIVATIVE NR1H2, NR3C2, HRH1 MMP8 4183/4885DRD3 1433/4885GABBR2 2492/4885
US-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 MMP8 2868/4885DRD3 782/4885GABBR2 2301/4885
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 MMP8 2868/4885DRD3 782/4885GABBR2 2301/4885
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 MMP8 2868/4885DRD3 782/4885GABBR2 2301/4885
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES OPRD1, PPOX, CYP2D6 MMP8 3011/4885DRD3 549/4885GABBR2 1894/4885

“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.