Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1505053

C[C@@H](NC/C=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl

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 20)

geneUniProtsupporting neighboursconfidence
CASR known ✓ P41180 11/20 0.59
ADRA2C known ✓ P18825 2/20 0.59
SLC6A2 known ✓ P23975 2/20 0.59
HTR2C known ✓ P28335 2/20 0.59
SLC6A4 known ✓ P31645 2/20 0.59
OPRM1 known ✓ P35372 2/20 0.59
DRD3 known ✓ P35462 2/20 0.59
HTR1A known ✓ P08908 1/20 0.59
HRH2 known ✓ P25021 1/20 0.59
HTR1D known ✓ P28221 1/20 0.59
HTR2A known ✓ P28223 1/20 0.59
HTR7 known ✓ P34969 1/20 0.59
ADRA1B known ✓ P35368 1/20 0.59
OPRK1 known ✓ P41145 1/20 0.59
HTR2B known ✓ P41595 1/20 0.59
HTR5A known ✓ P47898 1/20 0.59
HTR6 known ✓ P50406 1/20 0.59
SIGMAR1 known ✓ Q99720 1/20 0.59
ADRB1 known ✓ P08588 1/20 0.57
CHRM1 known ✓ P11229 1/20 0.57

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 SCHEMBL2873634 1.00 CASR (0.59) CASRADRA2CSLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL1505054 1.00 CASR (0.59) CASRADRA2CSLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL2873629 1.00 CASR (0.59) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL1331216 0.99 CASR (0.58) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL1491268 0.99 CASR (0.58) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL1331214 0.99 CASR (0.58) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL1491266 0.99 CASR (0.58) CASRADRA2CSLC6A2HTR2CSLC6A4
Bromide SCHEMBL1504864 0.98 CASR (0.57) CASRADRA2CSLC6A2HTR2CSLC6A4
Bromide SCHEMBL1504865 0.98 CASR (0.57) CASRADRA2CSLC6A2HTR2CSLC6A4
Sulfuric Acid SCHEMBL2874476 0.93 CASR (0.53) CASRADRA2CSLC6A2HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522869-B2 Process for preparing Cinacalcet hydrochloride ZACH SYSTEM S.P.A. (IT) 2016-12-20 US disclosed
US-20140296574-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2014-10-02 US disclosed
US-8759586-B2 Processes for the preparation of cinacalcet RANBAXY LABORATORIES LIMITED (IN) 2014-06-24 US disclosed
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2012-12-06 US disclosed
EP-2477959-A1 PROCESSES FOR THE PREPARATION OF CINACALCET Ranbaxy Laboratories Limited (IN) 2012-07-25 EP disclosed
EP-2398763-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE ZaCh System S.p.A. (IT) 2011-12-28 EP disclosed
US-20110306794-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE ZACH SYSTEM S.P.A. (IT) 2011-12-15 US disclosed
WO-2011033473-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2011-03-24 WO disclosed
WO-2010094674-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE ZACH SYSTEM S.P.A. (IT) 2010-08-26 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 (3 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-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET CA4, SI, CA9 CASR 147/4885ADRA2C 1904/4885SLC6A2 968/4885
US-20140296574-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE SLC5A1, CA9, REN CASR 207/4885ADRA2C 657/4885SLC6A2 323/4885
US-20110306794-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE SLC5A1, CA9, REN CASR 207/4885ADRA2C 657/4885SLC6A2 323/4885

“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.