Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3701436

COc1cc([C@@H](C)N)ccc1F.Cl

nearest known ligand 0.45

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
ADRB2 known ✓ P07550 1/20 0.41
ACHE known ✓ P22303 2/20 0.38
CA2 known ✓ P00918 1/20 0.38
GAA known ✓ P10253 1/20 0.36
PIK3CD known ✓ O00329 1/20 0.36
ABL1 known ✓ P00519 1/20 0.36
EGFR known ✓ P00533 1/20 0.36
SRC known ✓ P12931 1/20 0.36
KDR known ✓ P35968 1/20 0.36
PIK3CA known ✓ P42336 1/20 0.36
PRKCA known ✓ P17252 1/20 0.36
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CA1 P00915 1/20 0.38
NFKB1 P19838 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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 SCHEMBL28803186 1.00 ADRB2 (0.41) ADRB2GRM2GRM3BLMPMP22
Hydrochloric Acid SCHEMBL31123028 1.00 ADRB2 (0.41) ADRB2GRM2GRM3BLMPMP22
Hydrochloric Acid SCHEMBL15210760 1.00 ADRB2 (0.41) ADRB2GRM2GRM3BLMPMP22
SCHEMBL1237466 0.98 ADRB2 (0.42) ADRB2GRM2GRM3BLMPMP22
SCHEMBL2129702 0.98 ADRB2 (0.42) ADRB2GRM2GRM3BLMPMP22
SCHEMBL31447563 0.98 ADRB2 (0.42) ADRB2GRM2GRM3BLMPMP22
SCHEMBL3719566 0.98 ADRB2 (0.42) ADRB2GRM2GRM3BLMPMP22
Hydrochloric Acid SCHEMBL3707227 0.85 AKT1 (0.44) BLMACHECA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL28802982 0.85 AKT1 (0.44) BLMACHECA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL31123038 0.85 AKT1 (0.44) BLMACHECA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817299-B1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LTD (IN) 2019-06-12 EP disclosed
US-9987249-B2 Substituted chroman compounds as calcium sensing receptor modulators LUPIN LIMITED (IN) 2018-06-05 US disclosed
US-20170209410-A1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2017-07-27 US disclosed
US-9598391-B2 Substituted chroman compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2017-03-21 US disclosed
US-20150368222-A1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-12-24 US disclosed
US-9163001-B2 Substituted chroman compounds as calcium sensing receptor modulators LUPIN LIMITED (IN) 2015-10-20 US disclosed
US-20150038546-A1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-02-05 US disclosed
EP-2817299-A1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS Lupin Limited (IN) 2014-12-31 EP disclosed
US-8785494-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO-PHARMA A/S (DK) 2014-07-22 US disclosed
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US disclosed
US-20130267516-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-10-10 US disclosed
US-20130261132-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-10-03 US disclosed
US-20130244995-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-09-19 US disclosed
US-20130245084-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-09-19 US disclosed
WO-2013124828-A1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-08-29 WO disclosed
US-20120129926-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-24 US disclosed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 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 (9 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-20130261132-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS CASR, CALCR, PTH1R ADRB2 261/4885ACHE 2738/4885CA2 13/4885
US-20150368222-A1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, CALCR ADRB2 271/4885ACHE 1790/4885CA2 24/4885
US-20120129926-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, CALCR, ORAI1 ADRB2 240/4885ACHE 2734/4885CA2 41/4885
US-20130245084-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS CASR, CALCR, PTH1R ADRB2 233/4885ACHE 2420/4885CA2 16/4885
US-20170209410-A1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, CALCR ADRB2 271/4885ACHE 1790/4885CA2 24/4885
US-20130244995-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS CASR, CALCR, PTH1R ADRB2 261/4885ACHE 2738/4885CA2 13/4885
US-20130267516-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS CASR, PTH1R, CALCR ADRB2 173/4885ACHE 2171/4885CA2 16/4885
US-20150038546-A1 SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, CALCR ADRB2 271/4885ACHE 1790/4885CA2 24/4885
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, SARAF, ORAI1 ADRB2 235/4885ACHE 2823/4885CA2 52/4885

“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.