Hydrochloric Acid

Hydrochloric Acid

SCHEMBL968453

COC(=O)CC(O)CN.Cl

nearest known ligand 0.50

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 16)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.42
ADRB3 known ✓ P13945 1/20 0.33
GABRR1 P24046 3/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.43
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC1A1 P43005 1/20 0.32

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 SCHEMBL15017812 1.00 GABRR1 (0.50) GABRR1LMNAKDM4EMGAMGAA
SCHEMBL854003 0.98
SCHEMBL1554944 0.98
SCHEMBL7734688 0.98
SCHEMBL28243 0.83 TSHR (0.50) LMNAKDM4EMGAMGAASI
Hydrochloric Acid SCHEMBL2526931 0.78 GABRR1 (0.46) GABRR1LMNATSHRGABBR2GABBR1
Hydrochloric Acid SCHEMBL28944186 0.78 GABRR1 (0.46) GABRR1LMNAKDM4EMGAMGAA
SCHEMBL5458599 0.77 TSHR (0.40) LMNAKDM4EMGAMGAASI
Hydrochloric Acid SCHEMBL1260889 0.77 KDM4E (0.43) LMNAKDM4EMGAMGAASI
Hydrochloric Acid SCHEMBL30642213 0.77 KDM4E (0.43) LMNAKDM4EMGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466251-B Condensed heterocyclic compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-06-21 CN disclosed
CN-115504973-B Benzisoxazole compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-05-14 CN disclosed
CN-115504973-A Benzisoxazole compound, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2022-12-23 CN disclosed
CN-115466251-A Fused heterocyclic compound, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2022-12-13 CN disclosed
EP-2791139-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-11-08 EP disclosed
US-9289419-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-03-22 US disclosed
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-18 US disclosed
US-9045479-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-02 US disclosed
US-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-01-01 US disclosed
EP-2791139-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr. Reddy's Laboratories Ltd. (IN) 2014-10-22 EP disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
WO-2007081901-A2 PYRIMIDINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 WO disclosed
EP-1802637-A1 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-07-04 EP disclosed
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
WO-2007038251-A1 ALKOXY INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-04-05 WO disclosed
US-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2007-03-29 US disclosed
CN-1869008-A Preparation method of chiral non alpha amino acid derivative of simultaneously protected by hydroxyl group and amino group ZHANG WEN (CN) 2006-11-29 CN disclosed
EP-1695955-A1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-30 EP disclosed
WO-2006044504-A1 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-04-27 WO disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 EP 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-20150005280-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 GAA 2224/4885ADRB3 414/4885GABRR1 661/4885
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof LPAR2, LPAR1, LPAR5 GAA 1078/4885ADRB3 1315/4885GABRR1 3523/4885
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 GAA 2463/4885ADRB3 2665/4885GABRR1 3136/4885
US-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors PHKG1, MAP3K19, MAP3K20 GAA 2011/4885ADRB3 2819/4885GABRR1 1675/4885
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 GAA 2224/4885ADRB3 414/4885GABRR1 661/4885

“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.