SCHEMBL3155487

SCHEMBL3155487

O=C(O)C1(c2ccccc2)CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.55
OPRL1 P41146 5/20 0.55
CHRM2 P08172 2/20 0.48
CHRM3 P20309 1/20 0.48
KCNH2 Q12809 4/20 0.44
OPRK1 P41145 3/20 0.44
OPRD1 P41143 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
AKR1C1 Q04828 1/20 0.44
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL30596343 0.89 OPRM1 (0.57) OPRM1OPRL1CHRM2CHRM3KCNH2
SCHEMBL11545113 0.83 CHRM2 (0.47) OPRM1CHRM2CHRM3KCNH2OPRK1
SCHEMBL11545110 0.83 CHRM2 (0.47) OPRM1CHRM2CHRM3KCNH2OPRK1
SCHEMBL30057981 0.81 GRM6 (0.55) OPRM1CHRM2KCNH2OPRK1OPRD1
SCHEMBL1513400 0.80 DRD2 (0.62) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL11173935 0.78 OPRL1 (0.60) OPRM1OPRL1CHRM2CHRM3OPRK1
SCHEMBL11173936 0.78 OPRL1 (0.60) OPRM1OPRL1CHRM2CHRM3OPRK1
SCHEMBL29087351 0.77 OPRM1 (0.52) OPRM1OPRL1CHRM2CHRM3KCNH2
SCHEMBL4477292 0.75 CHRM2 (0.49) OPRM1CHRM2CHRM3KCNH2OPRK1
SCHEMBL2841484 0.75 CHRM2 (0.49) OPRM1CHRM2CHRM3KCNH2OPRK1

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-1773796-B1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-03-03 EP disclosed
US-20070149562-A1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-28 US disclosed
EP-1773796-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006021655-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO 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-20070149562-A1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF MC5R, MC4R, OPRD1 OPRM1 5/4885OPRL1 9/4885CHRM2 159/4885

“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.