Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4797146

Cl.N.c1ccc(CC2CC2)cc1

nearest known ligand 0.65

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 11)

geneUniProtsupporting neighboursconfidence
GRIN2B known ✓ Q13224 1/20 0.52
SIGMAR1 known ✓ Q99720 1/20 0.50
GBA1 P04062 1/20 0.65
CCR3 P51677 2/20 0.59
PRMT3 O60678 1/20 0.53
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
PRMT1 Q99873 1/20 0.53
PRMT8 Q9NR22 1/20 0.53
MGLL Q99685 1/20 0.52
ALDH1A1 P00352 1/20 0.50

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
Ammonia Solution, Strong SCHEMBL1432566 0.97 GBA1 (0.68) GBA1CCR3PRMT3CARM1PRMT6
SCHEMBL2027845 0.95 GBA1 (0.71) GBA1CCR3PRMT3CARM1PRMT6
SCHEMBL674276 0.95 GBA1 (0.71) GBA1CCR3PRMT3CARM1PRMT6
Hydrochloric Acid SCHEMBL28647348 0.88 GBA1 (0.63) GBA1CCR3PRMT3CARM1PRMT6
Hydrochloric Acid SCHEMBL29210829 0.87 GBA1 (0.57) GBA1CCR3PRMT3CARM1PRMT6
Hydrochloric Acid SCHEMBL30304790 0.87 GBA1 (0.57) GBA1CCR3PRMT3CARM1PRMT6
Ammonia Solution, Strong SCHEMBL2283846 0.86 GBA1 (0.61) GBA1CCR3PRMT3CARM1PRMT6
SCHEMBL316482 0.85 GBA1 (0.65) GBA1CCR3PRMT3CARM1PRMT6
SCHEMBL8701 0.85 GBA1 (0.65) GBA1CCR3PRMT3CARM1PRMT6
SCHEMBL6977373 0.84 GBA1 (0.59) GBA1CCR3PRMT3CARM1PRMT6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 US disclosed
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-05-01 US disclosed
US-7332608-B2 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-19 US disclosed
EP-1812398-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SmithKline Beecham Corporation (US) 2007-08-01 EP disclosed
US-7235664-B2 Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed
US-7235690-B2 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-24 US disclosed
WO-2006050992-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed
US-20050137200-A1 Potassium channel modulators; antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-23 US disclosed
US-6903216-B2 Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-07 US disclosed
US-20030187033-A1 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-02 US disclosed
US-20030114499-A1 Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-06-19 US 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-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine CNR1, ACKR3, HCAR3 GRIN2B 1205/4885SIGMAR1 17/4885GBA1 423/4885
US-20050137200-A1 Potassium channel modulators; antiarrhythmia agents KCNJ2, KCNQ5, KCNH1 GRIN2B 3243/4885SIGMAR1 2854/4885GBA1 2581/4885
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine TACR1, TACR2, KCNA3 GRIN2B 304/4885SIGMAR1 314/4885GBA1 596/4885
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE KCNH1, KCNH2, KCNJ2 GRIN2B 2848/4885SIGMAR1 2708/4885GBA1 2277/4885
US-20030114499-A1 Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use KCNJ2, KCNQ5, KCNH1 GRIN2B 2956/4885SIGMAR1 3426/4885GBA1 2573/4885
US-20030187033-A1 Anthranilamides and methods of their use KCNH1, KCNJ2, KCNH2 GRIN2B 2683/4885SIGMAR1 2780/4885GBA1 2176/4885

“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.