SCHEMBL17439116

SCHEMBL17439116

COCC1(C(=O)N2CCC3(CCC(c4ccc(Cl)s4)(N(C)C)CC3)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.40
OPRL1 P41146 10/20 0.40
EPHX2 P34913 1/20 0.34
HSD11B1 P28845 2/20 0.34
CYP2D6 P10635 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CASP1 P29466 1/20 0.32
CYP1A2 P05177 1/20 0.32
SPR P35270 2/20 0.32

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
SCHEMBL17438823 0.96 OPRM1 (0.39) OPRM1OPRL1HSD11B1CYP2D6ALDH1A1
SCHEMBL17439085 0.89 OPRM1 (0.42) OPRM1OPRL1EPHX2HSD11B1CYP2D6
SCHEMBL17438678 0.88 OPRM1 (0.40) OPRM1OPRL1EPHX2HSD11B1CYP2D6
SCHEMBL17438885 0.85 OPRM1 (0.41) OPRM1OPRL1HSD11B1CYP2D6ALDH1A1
SCHEMBL17439156 0.84 OPRM1 (0.39) OPRM1OPRL1HSD11B1CYP2D6ALDH1A1
SCHEMBL17439110 0.83 OPRM1 (0.52) OPRM1OPRL1CYP2D6ALDH1A1TSHR
SCHEMBL17439154 0.81 OPRM1 (0.39) OPRM1OPRL1EPHX2HSD11B1CYP2D6
SCHEMBL17439128 0.80 OPRM1 (0.62) OPRM1OPRL1HSD11B1CYP2D6ALDH1A1
SCHEMBL17438660 0.79 OPRM1 (0.64) OPRM1OPRL1EPHX2HSD11B1
SCHEMBL17438788 0.79 OPRM1 (0.51) OPRM1OPRL1HSD11B1CYP2D6ALDH1A1

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 1/4885EPHX2 3605/4885

“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.