SCHEMBL10072367

SCHEMBL10072367

COc1ccc2c3c1OC1C3C(O)(C=CC13OCCO3)C(N(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.38
OPRK1 P41145 7/20 0.38
HCRTR1 O43613 4/20 0.35
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL45989 0.78
SCHEMBL10072372 0.76 HCRTR1 (0.38) OPRM1OPRK1HCRTR1
SCHEMBL10072374 0.69 HCRTR1 (0.42) OPRM1OPRK1HCRTR1
SCHEMBL12826657 0.68 HCRTR1 (0.41) OPRM1OPRK1HCRTR1
SCHEMBL13333413 0.64 OPRM1 (0.35) OPRM1OPRK1HCRTR1
SCHEMBL12609249 0.64 OPRM1 (0.35) OPRM1OPRK1HCRTR1
SCHEMBL18473485 0.63 HCRTR1 (0.39) OPRM1OPRK1HCRTR1
SCHEMBL18473483 0.63 HCRTR1 (0.46) OPRM1OPRK1HCRTR1
SCHEMBL12945205 0.62 HCRTR1 (0.38) OPRM1OPRK1HCRTR1
SCHEMBL18473622 0.62 HCRTR1 (0.40) OPRM1OPRK1HCRTR1

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-20120010412-A1 Process for the Synthesis of Substituted Morphinans ALKERMES, INC. (US) 2012-01-12 US disclosed

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-20120010412-A1 Process for the Synthesis of Substituted Morphinans CYP1B1, DHPS, CYP4B1 OPRM1 251/4885OPRK1 655/4885HCRTR1 3605/4885

“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.