SCHEMBL17439084

SCHEMBL17439084

COCC(C)(C)C(=O)N1CCC2(CCC(c3ccc(C)s3)(N(C)C)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.41
OPRL1 P41146 8/20 0.41
HSD11B1 P28845 1/20 0.36
EPHX2 P34913 1/20 0.34
RIPK1 Q13546 1/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2C19 P33261 3/20 0.32
TSHR P16473 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP11B2 P19099 1/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL17439154 0.89 OPRM1 (0.39) OPRM1OPRL1HSD11B1EPHX2RIPK1
SCHEMBL17438610 0.84 OPRM1 (0.51) OPRM1OPRL1HSD11B1EPHX2
SCHEMBL17438631 0.83 OPRM1 (0.48) OPRM1OPRL1CYP3A4CYP2C19TSHR
SCHEMBL17438894 0.81 OPRM1 (0.61) OPRM1OPRL1HSD11B1
SCHEMBL17439085 0.81 OPRM1 (0.42) OPRM1OPRL1HSD11B1EPHX2CYP3A4
SCHEMBL17438708 0.80 OPRM1 (0.53) OPRM1OPRL1HSD11B1CYP3A4CYP2C19
SCHEMBL17438885 0.79 OPRM1 (0.41) OPRM1OPRL1HSD11B1CYP3A4CYP2C19
SCHEMBL17439010 0.78 OPRM1 (0.66) OPRM1OPRL1HSD11B1EPHX2
SCHEMBL17438525 0.78 OPRM1 (0.47) OPRM1OPRL1HSD11B1CYP3A4TSHR
SCHEMBL17438849 0.77 OPRM1 (0.66) OPRM1OPRL1HSD11B1CYP3A4CYP2D6

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
US-10202345-B2 Substituted azaspiro(4.5)decane derivatives GRUENENTHAL GMBH (DE) 2019-02-12 US 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 (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-10202345-B2 Substituted azaspiro(4.5)decane derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885HSD11B1 1377/4885
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.