Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6080847

CC(C)c1ccc(CN[C@H](C)c2cccc3ccccc23)cc1.Cl

nearest known ligand 0.55

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 4/20 0.55
ADRA2C known ✓ P18825 2/20 0.46
SLC6A2 known ✓ P23975 2/20 0.46
HTR2C known ✓ P28335 2/20 0.46
SLC6A4 known ✓ P31645 2/20 0.46
OPRM1 known ✓ P35372 2/20 0.46
DRD3 known ✓ P35462 2/20 0.46
HTR1A known ✓ P08908 1/20 0.46
HRH2 known ✓ P25021 1/20 0.46
HTR1D known ✓ P28221 1/20 0.46
HTR2A known ✓ P28223 1/20 0.46
HTR7 known ✓ P34969 1/20 0.46
ADRA1B known ✓ P35368 1/20 0.46
OPRK1 known ✓ P41145 1/20 0.46
HTR2B known ✓ P41595 1/20 0.46
HTR5A known ✓ P47898 1/20 0.46
HTR6 known ✓ P50406 1/20 0.46
SIGMAR1 known ✓ Q99720 1/20 0.46
ADRB1 known ✓ P08588 1/20 0.44
CHRM1 known ✓ P11229 1/20 0.44

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 SCHEMBL27497469 1.00 CASR (0.55) CASRPOLBSMN1; SMN2ADRA2CSLC6A2
SCHEMBL9047830 0.99 CASR (0.54) CASRPOLBSMN1; SMN2ADRA2CSLC6A2
Hydrochloric Acid SCHEMBL3082165 0.88 CASR (0.60) CASRPOLBSMN1; SMN2ADRA2CSLC6A2
Hydrochloric Acid SCHEMBL607723 0.88 CASR (0.60) CASRPOLBSMN1; SMN2ADRA2CSLC6A2
Hydrochloric Acid SCHEMBL31355096 0.88 CASR (0.60) CASRPOLBSMN1; SMN2ADRA2CSLC6A2
Hydrochloric Acid SCHEMBL3067899 0.88 CASR (0.60) CASRPOLBSMN1; SMN2ADRA2CSLC6A2
SCHEMBL15131260 0.87 CASR (0.52) CASRPOLBADRA2CSLC6A2HTR2C
SCHEMBL5193705 0.86 POLB (0.61) CASRPOLBADRA2CSLC6A2HTR2C
SCHEMBL2341650 0.86 POLB (0.61) CASRPOLBADRA2CSLC6A2HTR2C
SCHEMBL15131229 0.86 POLB (0.61) CASRPOLBADRA2CSLC6A2HTR2C

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
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
US-20060229470-A1 Calcium receptor-active molecules NPS PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
EP-1553078-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2005-07-13 EP disclosed
CN-1192011-C Calcium receptor-active arylalkyl amines NPS PHARMA INC (US) 2005-03-09 CN disclosed
EP-1466888-A1 Calcium receptor-active arylalkyl amines NPS PHARMACEUTICALS, INC. (US) 2004-10-13 EP disclosed
EP-0724561-B1 CALCIUM RECEPTOR-ACTIVE ARYLALKYL AMINES NPS PHARMA INC (US) 2004-04-14 EP disclosed
EP-1275635-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
EP-1203761-A2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-05-08 EP disclosed
US-6313146-B1 CAN BE USED FOR THERAPY OF DISEASES OR DISORDERS IN A PATIENT BY MODULATING ONE OR MORE INORGANIC ION RECEPTOR ACTIVITIES NPS PHARMACEUTICALS, INC. 2001-11-06 US disclosed
US-6211244-B1 AROMATIC AMINES FOR COMPLEXING CALCIUM NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6031003-A TREATING A PATIENT HAVING A DISEASE OR DISORDER TREATABLE BY MODULATING ACTIVITY OF CALCIUM RECEPTORS IN VITRO BY ADMINISTERING A CALCIMIMETIC COMPOUND DETERMINED BY THE CALCILYTIC BOVINE PARATHYROID CELL TEST; OSTEOPOROSIS NPS PHARMACEUTICALS, INC. (US) 2000-02-29 US disclosed
US-6011068-A CARBOCYCLIC-ALKYL SECONDARY AMINES NPS PHARMACEUTICALS, INC. (US) 2000-01-04 US disclosed
US-6001884-A Calcium receptor-active molecules NPS PHARMACEUTICALS, INC. (US) 1999-12-14 US disclosed
US-5962314-A CERTAIN CELLS IN THE BODY RESPOND NOT ONLY TO CHEMICAL SIGNALS, BUT ALSO TO IONS SUCH AS EXTRACELLULAR CALCIUM IONS (CA.SUP.2+). THE INVENTION RELATES TO NUCLEIC ACIDS ENCODING SUCH RECEPTORS AND CELLS CONTAINING SUCH NUCLEIC ACIDS. NPS PHARMACEUTICALS, INC. (US) 1999-10-05 US disclosed
US-5858684-A CONTACTING RECOMBINANT CELL WITH TEST COMPOUND WHICH IS NOT VERAPAMIL OR GALLOPAMIL, DETERMINING ABILITY OF COMPOUND TO AFFECT ACTIVITIES OF INORGANIC ION RECEPTOR; DETERMINATION OF AGONIST AND ANTAGONIST DRUGS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1999-01-12 US disclosed
US-5763569-A POLYPEPTIDES AS CALCIUM RECEPTORS TO GENERATE ANTIBODIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC (US) 1998-06-09 US disclosed
US-5688938-A Calcium receptor-active molecules THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 1997-11-18 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 (2 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-20060229470-A1 Calcium receptor-active molecules CASR, CALCR, ORAI1 CASR 1/4885ADRA2C 1982/4885SLC6A2 3480/4885
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 CASR 1/4885ADRA2C 1982/4885SLC6A2 3480/4885

“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.