SCHEMBL4862320

SCHEMBL4862320

C=CCN1CCC(O)(c2ccccc2CSC(C)(C)CC)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.40
SIGMAR1 Q99720 1/20 0.40
OPRM1 P35372 15/20 0.38
OPRD1 P41143 15/20 0.38
OPRK1 P41145 15/20 0.38

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
SCHEMBL4864454 0.90 OPRL1 (0.43) OPRL1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL4871468 0.87 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4867883 0.83 OPRM1 (0.42) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4864332 0.83 OPRL1 (0.61) OPRL1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL4866366 0.82 OPRL1 (0.40) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4868584 0.81 OPRL1 (0.39) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4869744 0.80 USP2 (0.40) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4871340 0.77 SIGMAR1 (0.46) OPRL1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL4867904 0.77 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4866314 0.77 L3MBTL1 (0.51)

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 3530/4885SIGMAR1 1879/4885OPRM1 3149/4885

“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.