Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6038996

CNS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1.Cl

nearest known ligand 0.75

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 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 10/20 0.75
SLC2A1 P11166 2/20 0.53
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MERTK Q12866 2/20 0.49
PIN1 Q13526 1/20 0.47

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
SCHEMBL8890714 0.99 NPY5R (0.77) NPY5RSLC2A1MERTKPIN1
Hydrochloric Acid SCHEMBL8890820 0.87 NPY5R (0.98) NPY5RSLC2A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8891262 0.87 NPY5R (0.57) NPY5RSLC2A1
Hydrochloric Acid SCHEMBL8890129 0.87 NPY5R (0.58) NPY5RSLC2A1HTTTAAR1MERTK
Hydrochloric Acid SCHEMBL8900880 0.86 NPY5R (0.68) NPY5RSLC2A1POLBHTTSMN1; SMN2
SCHEMBL8901519 0.86 NPY5R (1.00) NPY5RSLC2A1MERTKPIN1
SCHEMBL8899707 0.85 NPY5R (0.58) NPY5RSLC2A1
SCHEMBL8896657 0.85 NPY5R (0.59) NPY5RSLC2A1HTTSMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL6038881 0.85 NPY5R (0.56) NPY5RSLC2A1HTTSMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL8900633 0.85 NPY5R (0.98) NPY5RSLC2A1POLBHTTSMN1; SMN2

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-20060014242-A1 Methods of modifying feeding behavior, compounds useful in such methods, and DNA encoding a hypothalamic atypical neuropeptide Y/peptide YY receptor (Y5) GERALD CHRISTOPHE P 2006-01-19 US disclosed
US-6818445-B2 ADMINISTERING COUMPOUNDS SUCH AS AROMATIC ALKYL DIAMINE DERIVATIVES AS Y5 RECEPTOR AGONIST OR ANTAGONIST TO INCREASE OR DECREASE FOOD CONSUMPTION SYNAPTIC PHARMACEUTICAL CORPORATION 2004-11-16 US disclosed
US-6713265-B1 MEASURING THE BINDING OF GTP GAMMA S TO CELLS EXPRESSING Y5 RECEPTOR IN THE PRESENCE AND IN THE ABSENCE OF COMPOUND OF INTEREST SYNAPTIC PHARMACEUTICAL CORPORATION 2004-03-30 US disclosed
US-6645774-B1 Administering for treatment of obesity, bulimia or anorexia SYNAPTIC PHARMACEUTICAL CORPORATION 2003-11-11 US disclosed
US-20020103123-A1 Methods of modifying feeding behavior, compounds useful in such methods, and DNA encoding a hypothalamic atypical neuropeptide Y/peptide YY receptor (Y5) SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-01 US disclosed
EP-1007073-A4 METHODS OF MODIFYING FEEDING BEHAVIOR, COMPOUNDS USEFUL IN SUCH METHODS, AND DNA ENCODING A HYPOTHALAMIC ATYPICAL NEUROPEPTIDE Y/PEPTIDE YY RECEPTOR (Y5) SYNAPTIC PHARMA CORP (US) 2002-03-27 EP disclosed
US-6316203-B1 MONITORING ACTIVITY OF NERVOUS SYSTEM LIGAND; INCUBATE LIGAND AND TRANSFECTED CELL, DETECT AMPLIFICATION IN BINDING PROTEIN ACTIVITY, AMPLIFICATION IN BINDING PROTEIN ACTIVITY INDICATES AGONIST SYNAPTIC PHARMACEUTICAL CORPORATION 2001-11-13 US disclosed
EP-1007073-A1 METHODS OF MODIFYING FEEDING BEHAVIOR, COMPOUNDS USEFUL IN SUCH METHODS, AND DNA ENCODING A HYPOTHALAMIC ATYPICAL NEUROPEPTIDE Y/PEPTIDE YY RECEPTOR (Y5) SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-06-14 EP disclosed
US-5989920-A RECEPTOR BINDING ASSAY FOR SCREENING DRUGS WHICH BIND TO HUMAN OR RAT Y5 RECEPTOR BY CONTACTING NONNEURONAL CELLS TRANSFECTED WITH VECTOR HAVING SEQUENCE CODING FOR RECEPTOR AND DETECTING BINDING; TREATMENT OF OBESITY, EATING DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-11-23 US disclosed
US-5968819-A FOR MODIFYING FEEDING BEHAVIOR IN CONNECTION WITH EATING DISORDERS; FOR SCREENING ANTAGONISTS, AGONISTS; FOR PROBES TO DETECT RECEPTORS; ANTISENSE AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-10-19 US disclosed
WO-1997046250-A1 METHODS OF MODIFYING FEEDING BEHAVIOR, COMPOUNDS USEFUL IN SUCH METHODS, AND DNA ENCODING A HYPOTHALAMIC ATYPICAL NEUROPEPTIDE Y/PEPTIDE YY RECEPTOR (Y5) SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-12-11 WO disclosed
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 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 (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-20020103123-A1 Methods of modifying feeding behavior, compounds useful in such methods, and DNA encoding a hypothalamic atypical neuropeptide Y/peptide YY receptor (Y5) NPY5R, NPY4R, NPY1R NPY5R 1/4885SLC2A1 1691/4885POLB 752/4885
US-20060014242-A1 Methods of modifying feeding behavior, compounds useful in such methods, and DNA encoding a hypothalamic atypical neuropeptide Y/peptide YY receptor (Y5) NPY5R, NPY4R, NPY1R NPY5R 1/4885SLC2A1 1734/4885POLB 708/4885

“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.