Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2990516

CN(C)CCc1c[nH]c2ccc(C=O)cc12.Cl

nearest known ligand 0.62

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
HTR1A known ✓ P08908 9/20 0.62
HTR2A known ✓ P28223 6/20 0.62
HTR2C known ✓ P28335 5/20 0.62
SLC6A4 known ✓ P31645 1/20 0.62
HTR1D known ✓ P28221 13/20 0.60
HTR1B known ✓ P28222 11/20 0.60
HTR2B known ✓ P41595 5/20 0.59
HTR7 known ✓ P34969 4/20 0.59
HTR5A known ✓ P47898 4/20 0.59
HTR6 known ✓ P50406 3/20 0.59
HTR1E known ✓ P28566 3/20 0.59
HTR1F known ✓ P30939 3/20 0.59
HTR3A known ✓ P46098 3/20 0.59
HTR3E known ✓ A5X5Y0 2/20 0.59
HTR3B known ✓ O95264 2/20 0.59
HTR4 known ✓ Q13639 2/20 0.59
HTR3D known ✓ Q70Z44 2/20 0.59
HTR3C known ✓ Q8WXA8 2/20 0.59
MPO P05164 1/20 0.62
CYP1A2 P05177 1/20 0.59

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
SCHEMBL1750005 0.99 HTR1A (0.63) HTR1AHTR2AHTR2CMPOSLC6A4
SCHEMBL1751964 0.84 HTR1A (0.63) HTR1AHTR2AHTR2CMPOSLC6A4
SCHEMBL13227642 0.84 MPO (0.68) HTR1AHTR2AHTR2CMPOSLC6A4
SCHEMBL17927600 0.84 CYP2D6 (0.55) HTR1AHTR2AHTR2CMPOSLC6A4
SCHEMBL13209530 0.81 HTR1A (0.53) HTR1AHTR2AHTR2CMPOSLC6A4
SCHEMBL2998088 0.81 HTR1A (0.59) HTR1AHTR2AHTR2CMPOSLC6A4
SCHEMBL28035201 0.79 HTR1D (0.42) HTR1AHTR2AHTR2CMPOSLC6A4
Hydrochloric Acid SCHEMBL32677865 0.78 MPO (0.97) HTR1AHTR2AHTR2CMPOSLC6A4
Hydrochloric Acid SCHEMBL7970523 0.78 HTR1A (0.67) HTR1AHTR2AHTR2CMPOSLC6A4
Hydrochloric Acid SCHEMBL3869535 0.78 HTR1A (0.67) HTR1AHTR2AHTR2CMPOSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786156-B2 Synthesis methods and intermediates for the manufacture of Rizatriptan RATIOPHARM GMBH (DE) 2010-08-31 US disclosed
EP-1751104-B1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE MANUFACTURE OF RIZATRIPTAN RATIOPHARM GMBH (DE) 2010-03-24 EP disclosed
US-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan RATIOPHARM GMBH (DE) 2007-05-31 US disclosed
EP-1751104-A1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE MANUFACTURE OF RIZATRIPTAN ratiopharm GmbH (DE) 2007-02-14 EP disclosed
WO-2005075422-A1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE MANUFACTURE OF RIZATRIPTAN RATIOPHARM GMBH (DE) 2005-08-18 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 (1 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-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan HTR7, HRH4, CA7 HTR1A 31/4885HTR2A 45/4885HTR2C 79/4885

“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.