SCHEMBL4864332

SCHEMBL4864332

CCC(C)(C)SCc1ccccc1C1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.61
POLB P06746 2/20 0.49
CCR3 P51677 1/20 0.46
SIGMAR1 Q99720 7/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
HSD17B10 Q99714 1/20 0.40
CHRM4 P08173 1/20 0.40
ADRA2A P08913 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
SCHEMBL4864139 0.90 OPRL1 (0.65) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL4871468 0.88 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4867883 0.84 OPRM1 (0.42) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4866366 0.83 OPRL1 (0.40) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4862320 0.83 OPRL1 (0.40) OPRL1SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL4868584 0.82 OPRL1 (0.39) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4869744 0.81 USP2 (0.40) OPRL1CYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL4865893 0.80 MEN1 (0.43) POLBSIGMAR1ALDH1A1CYP1A2CYP2C9
SCHEMBL4872754 0.80 OPRM1 (0.52) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4871340 0.78 SIGMAR1 (0.46) OPRL1SIGMAR1OPRM1OPRD1OPRK1

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 3530/4885POLB 4042/4885CCR3 2701/4885

“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.