SCHEMBL17439129

SCHEMBL17439129

CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)C3CCOCC3)C2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.61
OPRM1 P35372 14/20 0.61
HRH3 Q9Y5N1 1/20 0.47
EPHX2 P34913 1/20 0.46
OPRK1 P41145 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL17438831 0.92 OPRL1 (0.67) OPRL1OPRM1HRH3OPRK1
SCHEMBL17439133 0.90 OPRL1 (0.71) OPRL1OPRM1HRH3OPRK1
SCHEMBL17439058 0.89 OPRL1 (0.61) OPRL1OPRM1HRH3OPRK1
SCHEMBL17438982 0.84 OPRL1 (0.82) OPRL1OPRM1
SCHEMBL17438695 0.83 OPRM1 (0.53) OPRL1OPRM1HRH3EPHX2ITGB3
SCHEMBL17438986 0.80 OPRL1 (0.76) OPRL1OPRM1
SCHEMBL17439016 0.80 OPRM1 (0.71) OPRL1OPRM1OPRK1
SCHEMBL17444359 0.77 OPRM1 (0.68) OPRL1OPRM1HRH3OPRK1
SCHEMBL17438840 0.77 OPRM1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL17439003 0.77 OPRM1 (0.91) OPRL1OPRM1

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 OPRL1 1/4885OPRM1 3/4885HRH3 813/4885

“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.