SCHEMBL12831723

SCHEMBL12831723

COc1ccc2c3c1O[C@H]1C(=O)CCC4[C@H](CCC[C@@]341)C2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.67
OPRD1 P41143 8/20 0.67
OPRK1 P41145 6/20 0.67
LMNA P02545 2/20 0.67
PDE4D Q08499 1/20 0.67
MRGPRX2 Q96LB1 1/20 0.67
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BLM P54132 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL12836597 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12013629 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL14427319 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL327364 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL19919122 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL21859226 0.89 OPRM1 (0.54) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL18878473 0.84 OPRD1 (0.64) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL21226454 0.84 OPRD1 (0.64) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12836600 0.84 OPRD1 (0.64) OPRM1OPRD1OPRK1LMNAPDE4D
SCHEMBL12964014 0.84 OPRD1 (0.64) OPRM1OPRD1OPRK1LMNAPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10406153-B2 Process for the preparation of benzhydrocodone hydrochloride NORAMCO, INC. (US) 2019-09-10 US disclosed
US-10370382-B2 Process for preparing hydromorphone and derivatives thereof CAMBREX CHARLES CITY, INC. (US) 2019-08-06 US disclosed
US-9981978-B2 Preparation of saturated ketone morphinan compounds by catalytic isomerisation CAMBREX CHARLES CITY, INC. (US) 2018-05-29 US disclosed
US-9981979-B2 Process for the formation of hydrocodone bitatrate CAMBREX CHARLES CITY, INC. (US) 2018-05-29 US disclosed
US-20170327511-A1 PROCESS FOR THE FORMATION OF HYDROCODONE BITATRATE CAMBREX CHARLES CITY, INC. (US) 2017-11-16 US disclosed
US-20160168159-A1 PREPARATION OF SATURATED KETONE MORPHINAN COMPOUNDS BY CATALYTIC ISOMERISATION CAMBREX CHARLES CITY, INC. 2016-06-16 US disclosed
US-20160168159-A1 PREPARATION OF SATURATED KETONE MORPHINAN COMPOUNDS BY CATALYTIC ISOMERISATION CAMBREX CHARLES CITY, INC. 2016-06-16 US disclosed
WO-2011035276-A2 HETEROGENEOUS RUTHENIUM METAL CATALYST FOR THE PRODUCTION OF HYDROCODONE, HYDROMORPHONE OR A DERIVATIVE THEREOF MALLINCKRODT INC. (US) 2011-03-24 WO disclosed
WO-2010118273-A1 RUTHENIUM CATALYSTS FOR THE PRODUCTION OF HYDROCODONE, HYDROMORPHONE OR A DERIVATIVE THEREOF MALLINCKRODT INC. (US) 2010-10-14 WO 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 (4 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-20160168159-A1 PREPARATION OF SATURATED KETONE MORPHINAN COMPOUNDS BY CATALYTIC ISOMERISATION ADH1C, ADH1A, ADH5 OPRM1 114/4885OPRD1 170/4885OPRK1 104/4885
US-10370382-B2 Process for preparing hydromorphone and derivatives thereof CYP1A1, DHPS, CYP11B1 OPRM1 5/4885OPRD1 9/4885OPRK1 11/4885
US-20170327511-A1 PROCESS FOR THE FORMATION OF HYDROCODONE BITATRATE HAAO, HPD, CYP3A43 OPRM1 168/4885OPRD1 145/4885OPRK1 75/4885
US-10406153-B2 Process for the preparation of benzhydrocodone hydrochloride DBH, DHPS, PAH OPRM1 74/4885OPRD1 27/4885OPRK1 34/4885

“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.