SCHEMBL17438883

SCHEMBL17438883

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.56
OPRL1 P41146 16/20 0.56
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 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
SCHEMBL17438698 0.89 OPRM1 (0.69) OPRM1OPRL1
SCHEMBL17438597 0.88 OPRM1 (0.69) OPRM1OPRL1ITGB3ITGA2B
SCHEMBL17438890 0.85 OPRM1 (0.54) OPRM1OPRL1
SCHEMBL17439111 0.84 OPRM1 (0.58) OPRM1OPRL1ITGB3ITGA2B
SCHEMBL17439060 0.84 OPRM1 (0.53) OPRM1OPRL1ITGB3ITGA2B
SCHEMBL17439157 0.84 OPRM1 (0.56) OPRM1OPRL1
SCHEMBL17438822 0.84 OPRM1 (0.55) OPRM1OPRL1
SCHEMBL17439160 0.83 OPRM1 (0.54) OPRM1OPRL1
SCHEMBL17438724 0.83 OPRM1 (0.55) OPRM1OPRL1ITGB3ITGA2B
SCHEMBL17439158 0.83 OPRM1 (0.52) OPRM1OPRL1ITGB3ITGA2B

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 1/4885ITGB3 777/4885
US-20160016903-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRD1, OPRM1 OPRM1 3/4885OPRL1 1/4885ITGB3 777/4885

“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.