SCHEMBL17439128

SCHEMBL17439128

COCC1(C(=O)N2CCC3(CCC(c4ccccc4)(N(C)C)CC3)C2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.62
OPRL1 P41146 15/20 0.62
HSD11B1 P28845 1/20 0.46
OPRK1 P41145 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL17438940 0.96 OPRM1 (0.60) OPRM1OPRL1HSD11B1OPRK1CYP3A4
SCHEMBL17439110 0.83 OPRM1 (0.52) OPRM1OPRL1CYP3A4CYP2C19TSHR
SCHEMBL17438794 0.83 OPRM1 (0.63) OPRM1OPRL1HSD11B1OPRK1CYP3A4
SCHEMBL17438840 0.82 OPRM1 (0.68) OPRM1OPRL1HSD11B1OPRK1
SCHEMBL17439085 0.81 OPRM1 (0.42) OPRM1OPRL1HSD11B1CYP3A4CYP2C19
SCHEMBL17438721 0.81 OPRM1 (0.60) OPRM1OPRL1HSD11B1OPRK1CYP3A4
SCHEMBL17438806 0.81 OPRM1 (0.77) OPRM1OPRL1CYP3A4CYP2C19TSHR
SCHEMBL17439116 0.80 OPRM1 (0.40) OPRM1OPRL1HSD11B1CYP3A4CYP2C19
SCHEMBL17438678 0.80 OPRM1 (0.40) OPRM1OPRL1HSD11B1CYP3A4CYP2C19
SCHEMBL17439016 0.80 OPRM1 (0.71) OPRM1OPRL1HSD11B1OPRK1CYP3A4

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-3169665-B1 SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-05-09 EP claimed
EP-3169665-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2017-05-24 EP claimed
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 US claimed
WO-2016008583-A1 SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES Grünenthal GmbH (DE) 2016-01-21 WO claimed

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-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885HSD11B1 1377/4885

“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.