Hydrochloric Acid

Hydrochloric Acid

SCHEMBL452523

C1CC(N2CCNCC2)C1.Cl.Cl

nearest known ligand 0.86

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
HTR6 known ✓ P50406 1/20 0.58
HRH3 known ✓ Q9Y5N1 4/20 0.39
OPRM1 known ✓ P35372 2/20 0.33
OPRD1 known ✓ P41143 1/20 0.33
OPRK1 known ✓ P41145 1/20 0.33
CHRNA3 known ✓ P32297 1/20 0.33
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2D6 P10635 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OGFRL1 Q5TC84 1/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
OPRL1 P41146 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 SCHEMBL450071 1.00 HTR6 (0.58) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL64201 0.97 HTR6 (0.60) HTR6HPGDKMT2ASMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL452359 0.95 HTR6 (0.64) HTR6HPGDKMT2ASMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL4321509 0.93 HTR6 (0.57) HTR6HPGDKMT2ASMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL450486 0.93 HTR6 (0.57) HTR6HPGDKMT2ASMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL572044 0.92 HTR6 (0.61) HTR6HPGDKMT2ASMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL6499302 0.92 HTR6 (0.61) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL271868 0.92 HTR6 (0.67) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL524430 0.90 HTR6 (0.59) HTR6HPGDKMT2ASMN1; SMN2HRH3
SCHEMBL1267270 0.90 HTR6 (0.64) HTR6HPGDKMT2ASMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884046-B Chemical compounds as inhibitors of kinase activity 葛兰素史克知识产权开发有限公司 2021-11-09 CN disclosed
US-10793559-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-06 US disclosed
EP-3414228-B1 CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2020-03-18 EP disclosed
US-20200071311-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-05 US disclosed
US-10457674-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-29 US disclosed
US-20190040051-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-07 US disclosed
EP-3414228-A1 CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-12-19 EP disclosed
CN-108884046-A chemical compounds as inhibitors of kinase activity 葛兰素史克知识产权开发有限公司 2018-11-23 CN disclosed
WO-2017137535-A1 CHEMICAL COMPOUNDS AS INHIBITORS OF KINASE ACTIVITY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-17 WO disclosed
US-9566312-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2017-02-14 US disclosed
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
US-20080045507-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO disclosed
EP-1802307-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2007-07-04 EP disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 US disclosed
CN-1809553-A Piperazine derivatives and their use in the treatment of neurological and psychiatric disorders GLAXO GROUP LTD (GB) 2006-07-26 CN disclosed
WO-2006040192-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-20 WO disclosed
EP-1615909-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2006-01-18 EP disclosed
WO-2004101546-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2004-11-25 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 (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-10793559-B2 Chemical compounds PIK3CA, PIK3CD, PIK3C2B HTR6 4179/4885HRH3 2886/4885OPRM1 3065/4885
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands HRH4, HRH3, HRH2 HTR6 62/4885HRH3 2/4885OPRM1 69/4885
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C HTR6 65/4885HRH3 1322/4885OPRM1 379/4885
US-20190040051-A1 CHEMICAL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4179/4885HRH3 2886/4885OPRM1 3065/4885
US-20200071311-A1 CHEMICAL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4179/4885HRH3 2886/4885OPRM1 3065/4885
US-10457674-B2 Chemical compounds PIK3CA, PIK3CD, PIK3C2B HTR6 4179/4885HRH3 2886/4885OPRM1 3065/4885
US-20080045507-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HTR6 32/4885HRH3 1/4885OPRM1 212/4885

“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.