SCHEMBL17439088

SCHEMBL17439088

COC(C)(C)CC(=O)N1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.51
OPRL1 P41146 16/20 0.51
HSD11B1 P28845 1/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL17439158 0.91 OPRM1 (0.52) OPRM1OPRL1HSD11B1
SCHEMBL17439160 0.85 OPRM1 (0.54) OPRM1OPRL1CYP2C19CYP3A4TSHR
SCHEMBL17438586 0.85 OPRM1 (0.51) OPRM1OPRL1HSD11B1
SCHEMBL17438955 0.85 OPRM1 (0.46) OPRM1OPRL1HSD11B1CYP2C19CYP3A4
SCHEMBL17438804 0.85 OPRM1 (0.51) OPRM1OPRL1HSD11B1
SCHEMBL17438720 0.84 OPRM1 (0.69) OPRM1OPRL1HSD11B1
SCHEMBL17438890 0.84 OPRM1 (0.54) OPRM1OPRL1CYP2C19CYP3A4TSHR
SCHEMBL17438983 0.83 OPRM1 (0.52) OPRM1OPRL1HSD11B1CYP2C19CYP3A4
SCHEMBL17439060 0.83 OPRM1 (0.53) OPRM1OPRL1HSD11B1
SCHEMBL17438597 0.82 OPRM1 (0.69) OPRM1OPRL1HSD11B1

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 2 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
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2016-01-21 US 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.