Sugi Predict

Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6288085

COc1cccc(C2=CCN(Cc3ccccc3)CC2)c1.Cl

nearest known ligand 0.69

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 9/20 0.62
▸ DRD2 known ✓ P14416 7/20 0.62
▸ HTR2A known ✓ P28223 1/20 0.61
▸ SIGMAR1 known ✓ Q99720 4/20 0.60
▸ DRD4 known ✓ P21917 2/20 0.60
▸ HTR2C known ✓ P28335 2/20 0.60
▸ HTR2B known ✓ P41595 2/20 0.60
▸ SLC6A3 known ✓ Q01959 2/20 0.60
▸ CHRM2 known ✓ P08172 1/20 0.60
▸ CHRM3 known ✓ P20309 1/20 0.60
▸ ADRA1D known ✓ P25100 1/20 0.60
▸ ADRA1A known ✓ P35348 1/20 0.60
▸ ADRA1B known ✓ P35368 1/20 0.60
▸ DRD3 known ✓ P35462 1/20 0.60
▸ GAA known ✓ P10253 1/20 0.57
▸ ADRA2A known ✓ P08913 1/20 0.55
▸ ADRA2B known ✓ P18089 1/20 0.55
▸ ADRA2C known ✓ P18825 1/20 0.55
▸ SLC6A2 known ✓ P23975 1/20 0.55
▸ SLC6A4 known ✓ P31645 1/20 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
SCHEMBL4827185 0.99 MEN1 (0.71) MEN1KMT2AHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL19066024 0.87 MEN1 (0.65) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL7969931 0.87 MEN1 (0.65) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL238334 0.86 MEN1 (0.66) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL6044553 0.85 MEN1 (0.54) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL10532241 0.84 MEN1 (0.59) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL8352095 0.83 MEN1 (0.59) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL2395932 0.83 DRD4 (0.67) HTR1ADRD2HTR2ASIGMAR1DRD4
SCHEMBL2471217 0.81 KMT2A (0.58) MEN1KMT2AHTR1ADRD2SIGMAR1
SCHEMBL1529039 0.81 HTR1A (0.66) MEN1KMT2AHTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900228-B1 Opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2005-05-31 — — US disclosed
EP-1512683-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2005-03-09 — — EP disclosed
US-20040146518-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2004-07-29 — — US disclosed
US-20030158415-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE 2003-08-21 — — US disclosed
US-6593348-B2 N-substituted(+)-(3R,4R)-dimethyl-4-(3-hydroxyphenyl)piperidine compounds; opiod receptors RESEARCH TRIANGLE INSTITUTE 2003-07-15 — — US disclosed
US-6552032-B2 N-substituted (+)-(3R,4R)-dimethyl-4-(3-hydroxyphenyl) piperidine (4a) derivatives RESEARCH TRIANGLE INSTITUTE 2003-04-22 — — US disclosed
US-6531481-B2 Opioid receptor antagonists and agonists; for example, a 1-(arylcarbonylaminoalkyl),3,4-dimethyl-4-(3-hydroxyphenyl)-piperidine compound of given formula RESEARCH TRIANGLE INSTITUTE 2003-03-11 — — US disclosed
US-20020193602-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2002-12-19 — — US disclosed
US-20020169324-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 2002-11-14 — — US disclosed
US-20020165396-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 2002-11-07 — — US disclosed
EP-1061919-A4 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RES TRIANGLE INST (US) 2002-09-04 — — EP disclosed
EP-1061919-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE Carrol, Frank Ivy (US) 2000-12-27 — — EP disclosed
WO-1999045925-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 1999-09-16 — — 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 (5 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-20020169324-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE OPRK1, OPRM1, OPRL1 HTR1A 102/4885DRD2 259/4885HTR2A 135/4885
US-20030158415-A1 Novel opiate compounds, methods of making and methods of use OPRL1, OPRM1, OPRK1 HTR1A 59/4885DRD2 150/4885HTR2A 112/4885
US-20020193602-A1 Novel opiate compounds, methods of making and methods of use OPRK1, OPRM1, OPRL1 HTR1A 102/4885DRD2 259/4885HTR2A 135/4885
US-20020165396-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE OPRK1, OPRM1, OPRL1 HTR1A 102/4885DRD2 259/4885HTR2A 135/4885
US-20040146518-A1 Novel opiate compounds, methods of making and methods of use OPRK1, OPRM1, OPRL1 HTR1A 102/4885DRD2 259/4885HTR2A 135/4885

“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.