Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6039677

Cl.c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.96

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
PDE5A known ✓ O76074 1/20 0.65
SRC known ✓ P12931 1/20 0.61
NPY5R Q15761 10/20 0.96
SLC2A1 P11166 1/20 0.72
SMN1; SMN2 Q16637 2/20 0.68
TAAR1 Q96RJ0 2/20 0.68
POLB P06746 1/20 0.68
HTT P42858 1/20 0.68
MAPK1 P28482 2/20 0.67
NPC1 O15118 1/20 0.67
TP53 P04637 1/20 0.67
PKM P14618 1/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
RAB9A P51151 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL2591063 0.98 NPY5R (1.00) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
Hydrochloric Acid SCHEMBL8900449 0.92 NPY5R (0.81) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
Hydrochloric Acid SCHEMBL8900034 0.92 NPY5R (0.81) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
Hydrochloric Acid SCHEMBL8898758 0.92 NPY5R (0.81) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
Hydrochloric Acid SCHEMBL8901136 0.91 NPY5R (0.97) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
Hydrochloric Acid SCHEMBL8889510 0.91 NPY5R (0.79) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
Hydrochloric Acid SCHEMBL8900357 0.91 NPY5R (0.97) NPY5RSLC2A1SMN1; SMN2POLBHTT
Hydrochloric Acid SCHEMBL7549537 0.91 NPY5R (0.79) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
SCHEMBL8901062 0.90 NPY5R (0.84) NPY5RSLC2A1SMN1; SMN2TAAR1POLB
SCHEMBL8898077 0.90 NPY5R (0.84) NPY5RSLC2A1MAPK1TSHRPDE5A

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-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
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
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-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 PDE5A 1701/4885SRC 3721/4885NPY5R 1/4885
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 PDE5A 1676/4885SRC 3789/4885NPY5R 1/4885

“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.