SCHEMBL971917

SCHEMBL971917

C[C@H]1CNCC[C@]1(C)c1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.57
OPRK1 P41145 4/20 0.57
OPRD1 P41143 2/20 0.47

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
SCHEMBL8784745 1.00 OPRM1 (0.57) OPRM1OPRK1OPRD1
SCHEMBL4283706 1.00 OPRM1 (0.57) OPRM1OPRK1OPRD1
SCHEMBL12026599 1.00 OPRM1 (0.57) OPRM1OPRK1OPRD1
SCHEMBL1477254 1.00 OPRM1 (0.57) OPRM1OPRK1OPRD1
SCHEMBL971919 1.00 OPRM1 (0.57) OPRM1OPRK1OPRD1
SCHEMBL29744950 1.00 OPRM1 (0.57) OPRM1OPRK1OPRD1
Phenol SCHEMBL9660770 0.96 OPRM1 (0.53) OPRM1OPRK1OPRD1
Phenol SCHEMBL9660778 0.96 OPRM1 (0.53) OPRM1OPRK1OPRD1
SCHEMBL1019742 0.81 OPRM1 (0.46) OPRM1OPRK1OPRD1
SCHEMBL5137090 0.81 OPRM1 (0.46) OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259818-A1 Methods and Compositions for Treating Conditions NEOPRO LABS, LLC 2007-11-08 US claimed
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
US-10377698-B2 Diphenethylamine derivatives which are inter alia useful as analgesics and method for their production UNIVERSITY OF INNSBRUCK (AT) 2019-08-13 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-20180072654-A1 Diphenethylamine Derivatives Which Are Inter Alia Useful As Analgesics And Method For Their Production Spetea, Mariana, Dr. (AT) 2018-03-15 US disclosed
EP-3277659-A1 DIPHENETHYLAMINE DERIVATIVES WHICH ARE INTER ALIA USEFUL AS ANALGESICS AND METHODS FOR THEIR PRODUCTION University of Innsbruck (AT) 2018-02-07 EP disclosed
EP-0506468-A1 N-substituted 4-phenyl-piperidine opioid-antagonists ELI LILLY AND COMPANY (US) 1992-09-30 EP disclosed
EP-0506478-A1 Piperidine derivatives ELI LILLY AND COMPANY (US) 1992-09-30 EP disclosed
US-5064834-A That block mu or kappa receptors in the brain ELI LILLY AND COMPANY (US) 1991-11-12 US disclosed
US-4992450-A Piperidine opioid antagonists ELI LILLY AND COMPANY (US) 1991-02-12 US disclosed
US-4891379-A BLOCKING MU OR KAPPA RECEPTORS KABUSHIKI KAISHA KOBE SEIKOSHO (JP) 1990-01-02 US disclosed
EP-0287339-A2 Piperidine opioid antagonists ELI LILLY AND COMPANY (US) 1988-10-19 EP disclosed
US-4191771-A NARCOTIC ANTAGONISTS ELI LILLY AND COMPANY (US) 1980-03-04 US disclosed
US-4175197-A 1,3,4-Trisubstituted-4-aryl-1,4,5,6-tetra-hydropyridines ELI LILLY AND COMPANY (US) 1979-11-20 US disclosed
US-4115400-A 1-Azoniabicyclo[3.1.0]hexanes ELI LILLY AND COMPANY (US) 1978-09-19 US disclosed
US-4081450-A 1,3,4-Trisubstituted-4-arylpiperidines and their preparation ELI LILLY AND COMPANY (US) 1978-03-28 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 (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-20180072654-A1 Diphenethylamine Derivatives Which Are Inter Alia Useful As Analgesics And Method For Their Production PNMT, OPRL1, OPRK1 OPRM1 21/4885OPRK1 3/4885OPRD1 4/4885
US-10377698-B2 Diphenethylamine derivatives which are inter alia useful as analgesics and method for their production PNMT, OPRL1, OPRK1 OPRM1 18/4885OPRK1 3/4885OPRD1 4/4885
US-11292783-B2 Substituted 1,2,3,4-tetrahydroisoquinolines as kappa opioid antagonists OPRK1, OPRD1, OPRM1 OPRM1 3/4885OPRK1 1/4885OPRD1 2/4885
US-20190263781-A1 Tetrahydroisoquinoline Kappa Opioid Antagonists OPRK1, OPRD1, OPRM1 OPRM1 3/4885OPRK1 1/4885OPRD1 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.