SCHEMBL973130

SCHEMBL973130

CC1C[C@H](c2cccc(O)c2)CCN1C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.57
DRD3 P35462 9/20 0.56
DRD4 P21917 8/20 0.53
HTR1A P08908 6/20 0.53
DRD1 P21728 6/20 0.53
DRD5 P21918 6/20 0.53
SIGMAR1 Q99720 3/20 0.53
NFKB1 P19838 1/20 0.53
PRCP P42785 1/20 0.53
EBP Q15125 1/20 0.53

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
SCHEMBL29744881 1.00 DRD2 (0.57) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL1342921 1.00 DRD2 (0.57) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL9205714 1.00 DRD2 (0.57) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL4697445 1.00 DRD2 (0.57) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL28784359 1.00 DRD2 (0.57) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL1424708 1.00 DRD2 (0.57) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL27749604 0.80 DRD2 (0.50) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL10274630 0.79 DRD2 (0.69) DRD2DRD3DRD4HTR1ADRD1
Ammonia Solution, Strong SCHEMBL3406155 0.79 DRD2 (0.49) DRD2DRD3DRD4HTR1ADRD1
Hydrochloric Acid SCHEMBL27854009 0.78 DRD2 (0.47) DRD2DRD3DRD4HTR1ADRD1

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790125-B Tetrahydroisoquinoline kappa opioid antagonists 研究三角协会 2022-07-05 CN disclosed
US-11292783-B2 Substituted 1,2,3,4-tetrahydroisoquinolines as kappa opioid antagonists RESEARCH TRIANGLE INSTITUTE (NC) 2022-04-05 US disclosed
EP-3512832-B1 TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS RES TRIANGLE INST (US) 2021-05-19 EP disclosed
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists RESEARCH TRIANGLE INSTITUTE (US) 2019-08-29 US disclosed
EP-3512832-A1 TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS Research Triangle Institute, International (US) 2019-07-24 EP disclosed
WO-2018053222-A1 TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS RESEARCH TRAINGLE INSTITUTE (US) 2018-03-22 WO disclosed
US-9750738-B2 Arylpiperazine opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2017-09-05 US disclosed
EP-2773352-B1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RES TRIANGLE INST (US) 2017-06-28 EP disclosed
US-9512105-B2 1-substituted 4-arylpiperazine as kappa opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2016-12-06 US disclosed
US-20160095854-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2016-04-07 US disclosed
US-20020132828-A1 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2002-09-19 US disclosed
EP-1061919-A4 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RES TRIANGLE INST (US) 2002-09-04 EP disclosed
WO-2002060445-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2002-08-08 WO disclosed
WO-2002053533-A2 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2002-07-11 WO 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
EP-0506468-B1 N-substituted 4-phenyl-piperidine opioid-antagonists LILLY CO ELI (US) 1995-04-26 EP disclosed
US-5270328-A Peripherally selective piperidine opioid antagonists ELI LILLY AND COMPANY (US) 1993-12-14 US disclosed
US-5159081-A INTERMEDIATES OF PERIPHERALLY SELECTIVE N-CARBONYL-3,4,4-TRISUBSTITUTED PIPERIDINE OPIOID ANTAGONISTS ELI LILLY AND COMPANY (US) 1992-10-27 US disclosed
EP-0506468-A1 N-substituted 4-phenyl-piperidine opioid-antagonists ELI LILLY AND COMPANY (US) 1992-09-30 EP 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 (4 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-20020132828-A1 Kappa opioid receptor ligands OPRK1, OPRD1, OPRM1 DRD2 256/4885DRD3 218/4885DRD4 578/4885
US-11292783-B2 Substituted 1,2,3,4-tetrahydroisoquinolines as kappa opioid antagonists OPRK1, OPRD1, OPRM1 DRD2 20/4885DRD3 47/4885DRD4 107/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 DRD2 20/4885DRD3 48/4885DRD4 140/4885
US-20160095854-A1 ARYLPIPERAZINE OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRD1 DRD2 94/4885DRD3 72/4885DRD4 232/4885

“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.