Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5964523

CSc1ccc(NC(=O)Nc2ccnc3cccnc23)cc1.Cl

nearest known ligand 0.70

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
HTR2C known ✓ P28335 5/20 0.70
HTR2B known ✓ P41595 4/20 0.70
HCRTR1 known ✓ O43613 3/20 0.59
HCRTR2 known ✓ O43614 2/20 0.59
HDAC6 known ✓ Q9UBN7 2/20 0.57
HDAC3 known ✓ O15379 1/20 0.43
HDAC1 known ✓ Q13547 1/20 0.43
HDAC2 known ✓ Q92769 1/20 0.43
ADORA2A P29274 2/20 0.59
MAPT P10636 9/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
TP53 P04637 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
NPC1 O15118 5/20 0.51

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
SCHEMBL7095507 0.99 HTR2C (0.72) HTR2CHTR2BHCRTR1HCRTR2ADORA2A
Hydrochloric Acid SCHEMBL7659937 0.84 HTR2C (0.97) HTR2CHTR2BMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5964738 0.83 HTR2C (0.70) HTR2CHTR2BHCRTR1HCRTR2ADORA2A
SCHEMBL5809934 0.82 HTR2C (0.57) HTR2CHTR2BHCRTR1HCRTR2ADORA2A
SCHEMBL7101667 0.81 HTR2C (0.72) HTR2CHTR2BHCRTR1HCRTR2ADORA2A
SCHEMBL24008310 0.75 NPC1 (0.69) HTR2CHTR2BADORA2AMAPTMEN1
Hydrochloric Acid SCHEMBL29440043 0.74 HTR2C (1.00) HTR2CHTR2BHCRTR1HCRTR2ADORA2A
Hydrochloric Acid SCHEMBL226068 0.74 HTR2C (1.00) HTR2CHTR2BHCRTR1HCRTR2ADORA2A
Hydrochloric Acid SCHEMBL5964203 0.74 HTR2C (0.74) HTR2CHTR2BHCRTR1HCRTR2ADORA2A
SCHEMBL496853 0.73 MAPT (1.00) HTR2CHTR2BHCRTR1HCRTR2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372757-B1 OREXIN RECEPTORS FOR SLEEP DISORDERS AND EATING DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-16 US claimed
US-20060178307-A1 Modulation of NMDA receptor currents via orexin receptor and/or CRF receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-08-10 US disclosed
EP-1075478-B1 PHENYLUREA AND PHENYLTHIO UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
US-6372757-B1 OREXIN RECEPTORS FOR SLEEP DISORDERS AND EATING DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-16 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 (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-20060178307-A1 Modulation of NMDA receptor currents via orexin receptor and/or CRF receptor HCRTR2, HCRTR1, GRIN2B HTR2C 172/4885HTR2B 84/4885HCRTR1 2/4885

“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.