SCHEMBL8104802

SCHEMBL8104802

COC(Cc1sccc1C1(O)CCN(C(C)c2ccccc2)CC1)OC

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 17/20 0.52
▸ OPRM1 P35372 15/20 0.52
▸ OPRK1 P41145 15/20 0.52
▸ OPRD1 P41143 14/20 0.52
▸ CYP2D6 P10635 1/20 0.40
▸ MC4R P32245 1/20 0.40

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
SCHEMBL3018645 0.81 OPRL1 (0.49) OPRL1
SCHEMBL13267701 0.81 OPRM1 (0.33) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3026182 0.73 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1
SCHEMBL10639902 0.67 OPRL1 (0.61) OPRL1OPRM1OPRK1OPRD1CYP2D6
SCHEMBL8108528 0.66 — —
SCHEMBL4870591 0.65 OPRM1 (0.55) OPRL1OPRM1OPRK1OPRD1CYP2D6
SCHEMBL19343390 0.65 OPRL1 (0.82) OPRL1OPRM1OPRK1OPRD1
SCHEMBL10639858 0.65 OPRL1 (0.63) OPRL1OPRM1OPRK1OPRD1CYP2D6
SCHEMBL3015736 0.65 OPRL1 (0.49) OPRL1
Bromide SCHEMBL11481839 0.64 KCNA3 (0.45) OPRL1OPRM1OPRK1OPRD1

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
EP-2170903-B1 SPIRO[PIPERIDINE-4,4' -THIENO[3, 2-C]PYRAN]DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE SIGMA RECEPTOR FOR THE TREATMENT OF PSYCHOSIS ESTEVE LABOR DR (ES) 2012-09-05 — — EP disclosed
US-20100190813-A1 SPIRO [PIPERIDINE-4- 4' -THIENO [3,2-C] PYRAN] DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE SIGMA RECEPTOR FOR THE TREATMENT OF PSYCHOSIS OBERDORF CHRISTOPH 2010-07-29 — — US disclosed
EP-2020414-A1 spiro[piperidine-4,4'-thieno[3,2-c]pyran] derivatives and related compounds as inhibitors of the sigma receptor for the treatment of psychosis Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 — — EP disclosed
WO-2008155132-A1 SPIRO [PIPERIDINE-4, 4' -THIENO [3, 2-C] PYRAN] DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE SIGMA RECEPTOR FOR THE TREATMENT OF PSYCHOSIS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-24 — — 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 (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-20100190813-A1 SPIRO [PIPERIDINE-4- 4' -THIENO [3,2-C] PYRAN] DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE SIGMA RECEPTOR FOR THE TREATMENT OF PSYCHOSIS SIGMAR1, OPRD1, OPRK1 OPRL1 6/4885OPRM1 12/4885OPRK1 3/4885

“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.

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