Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7534854

COc1ccc(C[C@H](CN2CCN(c3ccccc3OC)CC2)N(C(=O)C2CCCCC2)C(=O)C2CCCCC2)cc1.Cl

nearest known ligand 0.56

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 7/20 0.56
ADRA1A known ✓ P35348 4/20 0.55
DRD4 known ✓ P21917 3/20 0.55
ADRA1D known ✓ P25100 3/20 0.55
ADRA1B known ✓ P35368 3/20 0.55
HTR2B known ✓ P41595 1/20 0.55
HTR7 known ✓ P34969 2/20 0.53
HTR1B known ✓ P28222 1/20 0.53
DRD2 known ✓ P14416 1/20 0.49
DRD3 known ✓ P35462 1/20 0.49
HTR2A known ✓ P28223 1/20 0.48
HTR2C known ✓ P28335 1/20 0.48
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.49
BLM P54132 1/20 0.49

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 SCHEMBL7536565 0.81 HTR1A (0.52) HTR1AKMT2AMEN1ADRA1ADRD4
SCHEMBL7796778 0.81 HTR1A (0.53) HTR1AKMT2AMEN1ADRA1ADRD4
Hydrochloric Acid SCHEMBL7975411 0.79 ADRA1D (0.49) HTR1AKMT2AMEN1ADRA1ADRD4
SCHEMBL7758406 0.78 HTR1A (0.59) HTR1AKMT2AMEN1ADRA1ADRD4
Fumaric Acid SCHEMBL7989873 0.78 HTR1A (0.67) HTR1AKMT2AMEN1ADRA1ADRD4
Hydrochloric Acid SCHEMBL7536688 0.75 HTR1A (0.72) HTR1AKMT2AMEN1ADRA1ADRD4
SCHEMBL7536579 0.74 HTR1A (0.56) HTR1AKMT2AADRA1ADRD4ADRA1D
SCHEMBL7474356 0.72 HTR1A (1.00) HTR1AKMT2AMEN1ADRA1ADRD4
SCHEMBL8010247 0.72 HTR1A (1.00) HTR1AKMT2AMEN1ADRA1ADRD4
SCHEMBL7474354 0.72 HTR1A (1.00) HTR1AKMT2AMEN1ADRA1ADRD4

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-20020013324-A1 N-substituted imide derivatives with serotonergic activity AMERICAN HOME PRODUCTS CORPORATION 2002-01-31 US claimed
US-6306859-B1 PIPERIDINE ALKYL IMIDES AS NEUROTRANSMITTERS AMERICAN HOME PRODUCTS CORPORATION 2001-10-23 US claimed
US-20020013324-A1 N-substituted imide derivatives with serotonergic activity AMERICAN HOME PRODUCTS CORPORATION 2002-01-31 US disclosed
US-6306859-B1 PIPERIDINE ALKYL IMIDES AS NEUROTRANSMITTERS AMERICAN HOME PRODUCTS CORPORATION 2001-10-23 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-20020013324-A1 N-substituted imide derivatives with serotonergic activity TPH1, HTR1A, HTR1E HTR1A 2/4885ADRA1A 100/4885DRD4 74/4885

“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.