SCHEMBL10072372

SCHEMBL10072372

COc1ccc2c3c1OC1C(=O)C=CC(O)(C31)C(N(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.38
OPRM1 P35372 5/20 0.36
OPRK1 P41145 1/20 0.34

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
SCHEMBL45987 0.77 MAOA (0.31) OPRM1OPRK1
SCHEMBL12826657 0.77 HCRTR1 (0.41) HCRTR1OPRM1OPRK1
SCHEMBL10072367 0.76 OPRM1 (0.38) HCRTR1OPRM1OPRK1
SCHEMBL11888556 0.71 MAOA (0.32) OPRM1OPRK1
SCHEMBL18473622 0.71 HCRTR1 (0.40) HCRTR1OPRM1OPRK1
SCHEMBL12830845 0.67 MAOA (0.33) OPRM1
SCHEMBL13973662 0.66 HCRTR1 (0.34) HCRTR1OPRM1
SCHEMBL20170680 0.66 HCRTR1 (0.38) HCRTR1OPRM1OPRK1
SCHEMBL16131233 0.65 OPRM1 (0.43) OPRM1OPRK1
SCHEMBL17552919 0.65 OPRM1 (0.43) OPRM1OPRK1

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 HCRTR1 3605/4885OPRM1 251/4885OPRK1 655/4885

“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.