SCHEMBL4870591

SCHEMBL4870591

CC(c1ccccc1)N1CCC(O)(c2ccccc2CSC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.55
OPRD1 P41143 17/20 0.55
OPRK1 P41145 17/20 0.55
OPRL1 P41146 17/20 0.55
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4872754 0.90 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4863798 0.81 OPRL1 (0.44) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4871392 0.80 OPRL1 (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4867904 0.79 OPRL1 (0.46) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4864139 0.79 OPRL1 (0.65) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL4869997 0.77 OPRL1 (0.40) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4867474 0.77 USP2 (0.43) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL4864454 0.75 OPRL1 (0.43) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4870342 0.75 SIGMAR1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4861154 0.74 CYP3A4 (0.46) CYP2D6

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-1533314-A1 PROCESS FOR PRODUCING CYCLIC THIOETHER AND SYNTHETIC INTERMEDIATE THEREOF Sankyo Company, Limited (JP) 2005-05-25 EP claimed
US-7396930-B2 making spiro(benzo(c)thiophene-1 (3H),4'-piperidine) derivatives; involves reacting a mercapto compound with a 2-halophenylalkyl halide, reacting with an alkyllithium, then N-ethoxycarbonyl-4-piperidone, dehydration and cyclization; industrial scale; novel intermediates to neurokinin receptor antagonist SANKYO COMPANY, LIMITED (JP) 2008-07-08 US disclosed
US-20050165037-A1 Process for producing cyclic thioether and synthetic intermediate thereof SANKYO COMPANY, LIMITED (JP) 2005-07-28 US disclosed
EP-1533314-A1 PROCESS FOR PRODUCING CYCLIC THIOETHER AND SYNTHETIC INTERMEDIATE THEREOF Sankyo Company, Limited (JP) 2005-05-25 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 (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-20050165037-A1 Process for producing cyclic thioether and synthetic intermediate thereof SULT1E1, TST, TMT1A OPRM1 3149/4885OPRD1 1975/4885OPRK1 2876/4885

“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.