SCHEMBL4867883

SCHEMBL4867883

CCC(C)(C)SCc1ccccc1C1(O)CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.42
OPRL1 P41146 18/20 0.42
OPRD1 P41143 18/20 0.42
OPRK1 P41145 18/20 0.42
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4866366 0.89 OPRL1 (0.40) OPRM1OPRL1OPRD1OPRK1KCNH2
SCHEMBL4871468 0.89 OPRL1 (0.44) OPRM1OPRL1OPRD1OPRK1
SCHEMBL4863798 0.88 OPRL1 (0.44) OPRM1OPRL1OPRD1OPRK1
SCHEMBL4868584 0.88 OPRL1 (0.39) OPRM1OPRL1OPRD1OPRK1
SCHEMBL4869744 0.85 USP2 (0.40) OPRM1OPRL1OPRD1OPRK1
SCHEMBL4864332 0.84 OPRL1 (0.61) OPRM1OPRL1OPRD1OPRK1
SCHEMBL4862320 0.83 OPRL1 (0.40) OPRM1OPRL1OPRD1OPRK1
SCHEMBL4871340 0.83 SIGMAR1 (0.46) OPRM1OPRL1OPRD1OPRK1
SCHEMBL4872754 0.83 OPRM1 (0.52) OPRM1OPRL1OPRD1OPRK1
SCHEMBL4866314 0.83 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 6 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-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 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 (2 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 3149/4885OPRL1 3530/4885OPRD1 1975/4885
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 OPRM1 4383/4885OPRL1 3270/4885OPRD1 3890/4885

“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.