Hydrochloric Acid

Hydrochloric Acid

SCHEMBL992443

Cl.O=C(O)[C@@H]1CCCN1Cc1ccccc1

nearest known ligand 0.59

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 14)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.48
OPRK1 known ✓ P41145 1/20 0.48
ACE known ✓ P12821 1/20 0.48
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SPHK1 Q9NYA1 1/20 0.55
CCR4 P51679 1/20 0.51
CD274 Q9NZQ7 6/20 0.50
PDCD1 Q15116 2/20 0.50
GRM6 O15303 1/20 0.50
OPRL1 P41146 2/20 0.48
MCHR1 Q99705 1/20 0.48

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 SCHEMBL992441 1.00 CYP1A2 (0.59) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL20790624 1.00 CYP1A2 (0.59) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
SCHEMBL1819248 0.98 CYP1A2 (0.60) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
SCHEMBL2587055 0.98 CYP1A2 (0.60) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
SCHEMBL1972076 0.98 CYP1A2 (0.60) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL2500262 0.95 SMN1; SMN2 (0.61) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL7742897 0.95 SMN1; SMN2 (0.61) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
SCHEMBL3713831 0.94 SMN1; SMN2 (0.63) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
SCHEMBL3713829 0.94 SMN1; SMN2 (0.63) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
SCHEMBL16714062 0.94 SMN1; SMN2 (0.63) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142818-B Derivatives of oleanolic acid and delta-oleanolic acid and medical application thereof 中国药科大学 2023-07-21 CN disclosed
CN-113620960-A Substituted pyrrolizine compounds and uses thereof 吉利德科学公司 2021-11-09 CN disclosed
CN-109790168-B Substituted pyrrolizine compounds and uses thereof 吉利德科学公司 2021-09-17 CN disclosed
CN-108078982-B Use of proline derivatives in preparation of β -lactamase inhibitor 天津大学 2020-02-07 CN disclosed
CN-109790168-A SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF 吉利德科学公司 2019-05-21 CN disclosed
CN-105017187-B TOFA analogs for treating skin disorder or morbid state 德米拉(加拿大)公司 2017-10-24 CN disclosed
US-9782382-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2017-10-10 US disclosed
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS DERMIRA (CANADA) INC (US) 2016-11-24 US disclosed
US-9434718-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2016-09-06 US disclosed
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2012-08-16 US disclosed
EP-2451796-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Dermira (Canada), Inc. (CA) 2012-05-16 EP disclosed
US-20110117661-A1 POLYPEPTIDES, SYSTEMS, AND METHODS USEFUL FOR DETECTING GLUCOSE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-05-19 US disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
WO-2011005660-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2011-01-13 WO disclosed
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 US disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed
WO-2009021052-A1 POLYPEPTIDES, SYSTEMS, AND METHODS USEFUL FOR DETECTING GLUCOSE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2009-02-12 WO disclosed
CN-86101850-A N, the manufacture method and the purposes of N '-dialkyl group guanidine radicals dipeptides 1987-02-04 CN 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 (4 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-20110117661-A1 POLYPEPTIDES, SYSTEMS, AND METHODS USEFUL FOR DETECTING GLUCOSE IAPP, GCKR, GID4 OPRM1 4225/4885OPRK1 4023/4885ACE 3195/4885
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP OPRM1 3750/4885OPRK1 2301/4885ACE 2822/4885
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP OPRM1 3758/4885OPRK1 2192/4885ACE 2851/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 OPRM1 4238/4885OPRK1 3865/4885ACE 1278/4885

“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.