Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6039631

Cl.O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1

nearest known ligand 0.74

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 9)

geneUniProtsupporting neighboursconfidence
BCHE known ✓ P06276 2/20 0.56
ACHE known ✓ P22303 2/20 0.56
NPY5R Q15761 12/20 0.74
MAPK8 P45983 1/20 0.57
MAPK9 P45984 1/20 0.57
APP P05067 2/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
MERTK Q12866 4/20 0.55

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 SCHEMBL6039450 1.00 NPY5R (0.74) NPY5RMAPK8MAPK9APPBCHE
Hydrochloric Acid SCHEMBL8890554 0.87 NPY5R (0.97) NPY5RAPPBCHEACHEMERTK
SCHEMBL8899277 0.85 NPY5R (1.00) NPY5RAPPBCHEACHEMERTK
Hydrochloric Acid SCHEMBL8896596 0.84 NPY5R (0.67) NPY5RMAPK8MAPK9APPBCHE
Hydrochloric Acid SCHEMBL8896597 0.84 NPY5R (0.67) NPY5RMAPK8MAPK9APPBCHE
Hydrochloric Acid SCHEMBL8900289 0.84 NPY5R (0.70) NPY5RAPPBCHEACHEMERTK
Hydrochloric Acid SCHEMBL8896605 0.84 NPY5R (0.70) NPY5RAPPBCHEACHEMERTK
SCHEMBL8908620 0.83 NPY5R (0.68) NPY5RMAPK8MAPK9APPBCHE
SCHEMBL8908629 0.82 NPY5R (0.71) NPY5RAPPBCHEACHEMERTK
Hydrochloric Acid SCHEMBL8891372 0.82 NPY5R (0.74) NPY5RAPPBCHEACHEMERTK

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-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS 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 BCHE 2549/4885ACHE 4227/4885NPY5R 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 BCHE 2508/4885ACHE 4237/4885NPY5R 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.