SCHEMBL17439160

SCHEMBL17439160

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.54
OPRL1 P41146 7/20 0.54
CYP3A4 P08684 7/20 0.47
CYP2D6 P10635 4/20 0.47
TSHR P16473 4/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL17438890 0.89 OPRM1 (0.54) OPRM1OPRL1CYP3A4CYP2D6TSHR
SCHEMBL17438983 0.86 OPRM1 (0.52) OPRM1OPRL1CYP3A4TSHRCYP2C19
SCHEMBL17438597 0.86 OPRM1 (0.69) OPRM1OPRL1
SCHEMBL17439088 0.85 OPRM1 (0.51) OPRM1OPRL1CYP3A4CYP2D6TSHR
SCHEMBL17439157 0.85 OPRM1 (0.56) OPRM1OPRL1CYP3A4CYP2D6HIF1A
SCHEMBL17438698 0.85 OPRM1 (0.69) OPRM1OPRL1ALDH1A1
SCHEMBL17438724 0.85 OPRM1 (0.55) OPRM1OPRL1TSHR
SCHEMBL17439158 0.85 OPRM1 (0.52) OPRM1OPRL1
SCHEMBL17438676 0.85 OPRM1 (0.57) OPRM1OPRL1CYP3A4TSHRCYP2C19
SCHEMBL17439110 0.84 OPRM1 (0.52) OPRM1OPRL1CYP3A4CYP2D6TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 1/4885CYP3A4 492/4885

“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.