SCHEMBL10072363

SCHEMBL10072363

COc1ccc2c3c1OC1C(=O)CCC(O)(C(N(C)C)C2)C31C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.59
OPRD1 P41143 7/20 0.59
OPRK1 P41145 6/20 0.59
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 2/20 0.51
BLM P54132 1/20 0.51
PDE4D Q08499 1/20 0.48
MRGPRX2 Q96LB1 1/20 0.48

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
SCHEMBL14852726 0.90 OPRM1 (0.55) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL16131234 0.90 OPRM1 (0.55) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL12091233 0.86 OPRM1 (0.56) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL16015640 0.84 OPRM1 (0.53) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL12934538 0.84 OPRM1 (0.53) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170649 0.81 OPRM1 (0.54) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL16509912 0.81 OPRM1 (0.54) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL18973514 0.79 OPRM1 (0.53) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170709 0.79 OPRM1 (0.51) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL20170677 0.78 OPRM1 (0.50) OPRM1OPRD1OPRK1ALDH1A1CYP3A4

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 251/4885OPRD1 1176/4885OPRK1 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.