SCHEMBL4869997

SCHEMBL4869997

CCC(C)(C)N1CCC(O)(c2ccccc2CSC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 20/20 0.40
OPRM1 P35372 19/20 0.40
OPRD1 P41143 19/20 0.40
OPRK1 P41145 19/20 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
SCHEMBL4868584 0.91 OPRL1 (0.39) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4871392 0.88 OPRL1 (0.41) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4867904 0.85 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4863798 0.84 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4866366 0.82 OPRL1 (0.40) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4867474 0.80 USP2 (0.43) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4864139 0.79 OPRL1 (0.65) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4863815 0.79 L3MBTL1 (0.53)
SCHEMBL4867883 0.79 OPRM1 (0.42) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4864454 0.78 OPRL1 (0.43) OPRL1OPRM1OPRD1OPRK1

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 OPRL1 3530/4885OPRM1 3149/4885OPRD1 1975/4885

“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.