SCHEMBL10066077

SCHEMBL10066077

COc1cc(Br)c2c(c1O)C13CCN(CO)C(C2)C1CCC(=O)C3

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
OPRM1 P35372 6/20 0.42
OPRD1 P41143 3/20 0.41
OPRK1 P41145 2/20 0.41
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.33
MRGPRX2 Q96LB1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12646375 0.91 GAA (0.52) GAAOPRM1OPRD1OPRK1
SCHEMBL12646269 0.90 GAA (0.51) GAAOPRM1OPRD1OPRK1
SCHEMBL10222586 0.90 OPRM1 (0.55) GAAOPRM1OPRD1OPRK1
SCHEMBL10033224 0.85 GAA (0.54) GAAOPRM1OPRD1OPRK1KDM4E
SCHEMBL12646331 0.84 GAA (0.51) GAAOPRM1OPRD1OPRK1MAPT
SCHEMBL12588898 0.81 OPRM1 (0.53) GAAOPRM1OPRD1OPRK1
SCHEMBL10391150 0.80 GAA (0.52) GAAOPRM1OPRD1OPRK1
SCHEMBL12588946 0.80 OPRM1 (0.42) GAAOPRM1OPRD1OPRK1CYP3A4
SCHEMBL12588922 0.79 OPRM1 (0.58) GAAOPRM1OPRD1OPRK1
SCHEMBL28925147 0.79 GAA (0.70) GAAOPRM1OPRD1OPRK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148528-B2 Processes and compounds for the preparation of normorphinans MALLINCKRODT LLC (US) 2012-04-03 US disclosed
US-20090299069-A1 Processes and Compounds for the Preparation of Normorphinans MALLINCKRODT INC. (US) 2009-12-03 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-20090299069-A1 Processes and Compounds for the Preparation of Normorphinans CRH, NPSR1, AVPR1B GAA 1845/4885OPRM1 17/4885OPRD1 18/4885

“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.