Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1958490

CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)CC3)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
DRD2 known ✓ P14416 11/20 0.70
DRD3 known ✓ P35462 11/20 0.70
HTR6 known ✓ P50406 11/20 0.70
HTR2C known ✓ P28335 10/20 0.70
HTR2A known ✓ P28223 9/20 0.70
KCNA1 known ✓ Q09470 1/20 0.54
CYP1A2 P05177 3/20 0.70
CYP3A4 P08684 3/20 0.70
CYP2D6 P10635 3/20 0.70
CYP2C9 P11712 3/20 0.70
CYP2C19 P33261 3/20 0.70
TRIM24 O15164 1/20 0.56
BRD1 O95696 1/20 0.56
BRPF1 P55201 1/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
THRB P10828 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KCNAB1 Q14722 1/20 0.54

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 SCHEMBL1958917 0.89 DRD2 (0.59) DRD2DRD3HTR6HTR2CHTR2A
SCHEMBL1958535 0.87 DRD2 (0.60) DRD2DRD3HTR6HTR2CHTR2A
Hydrochloric Acid SCHEMBL1957329 0.86 DRD2 (0.53) DRD2DRD3HTR6HTR2CHTR2A
Hydrochloric Acid SCHEMBL1959993 0.84 MLNR (0.57) DRD2DRD3HTR6HTR2CHTR2A
Hydrochloric Acid SCHEMBL1959775 0.84 DRD2 (0.54) DRD2DRD3HTR6HTR2CHTR2A
SCHEMBL1958071 0.84 HTR6 (0.70) DRD2DRD3HTR6HTR2CHTR2A
SCHEMBL6370077 0.82 DRD2 (1.00) DRD2DRD3HTR6HTR2CHTR2A
SCHEMBL1957429 0.82 KCNA1 (0.57) DRD2DRD3HTR6HTR2CHTR2A
Hydrochloric Acid SCHEMBL1957489 0.82 MLNR (0.54) DRD2DRD3HTR6HTR2CHTR2A
Hydrochloric Acid SCHEMBL2485303 0.79 MLNR (0.48) DRD2DRD3HTR6HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207160-B2 Tetrahydrobenzazepines and their use in he modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2012-06-26 US disclosed
EP-1694334-B1 TETRAHYDROBENZAZEPINES AND THEIR USE IN THE MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-10-19 EP disclosed
EP-2332543-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-06-15 EP disclosed
US-20090105224-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine d3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-04-23 US disclosed
US-20050137186-A1 Tetrahydrobenzazepines and their use ABBOTT GMBH & CO. KG. 2005-06-23 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 (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-20050137186-A1 Tetrahydrobenzazepines and their use DRD3, ADRB3, AVPR1B DRD2 9/4885DRD3 1/4885HTR6 115/4885
US-20090105224-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine d3 receptor DRD3, DRD2, ADRB3 DRD2 2/4885DRD3 1/4885HTR6 124/4885

“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.