SCHEMBL12964014

SCHEMBL12964014

O=C1CCC2[C@@H]3CCC[C@@]24c2c(ccc(O)c2O[C@@H]14)C3

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.64
OPRM1 P35372 8/20 0.64
OPRK1 P41145 7/20 0.64
LMNA P02545 1/20 0.47
PDE4D Q08499 1/20 0.47
MRGPRX2 Q96LB1 1/20 0.47
SIGMAR1 Q99720 1/20 0.43
CYP2D6 P10635 2/20 0.43
CHRNA7 P36544 1/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL18878473 1.00 OPRD1 (0.64) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12836600 1.00 OPRD1 (0.64) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL21226454 1.00 OPRD1 (0.64) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL684700 0.86 OPRM1 (0.48) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL18994809 0.86 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL327364 0.84 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL19919122 0.84 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12836597 0.84 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL12831723 0.84 OPRM1 (0.67) OPRD1OPRM1OPRK1LMNAPDE4D
SCHEMBL18994760 0.84 OPRD1 (0.46) OPRD1OPRM1OPRK1LMNAPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464291-B1 SUPPORTED METAL CATALYST FOR THE PRODUCTION OF HYDROMORPHONE SIEGFRIED AG (CH) 2020-10-28 EP 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-9981978-B2 Preparation of saturated ketone morphinan compounds by catalytic isomerisation CAMBREX CHARLES CITY, INC. (US) 2018-05-29 US disclosed
WO-2017211879-A1 SUPPORTED METAL CATALYST FOR THE PRODUCTION OF HYDROCODONE AND HYDROMORPHONE SIEGFRIED AG (CH) 2017-12-14 WO disclosed
US-9775840-B2 Peripherally acting opioid compounds ALKERMES, INC. (US) 2017-10-03 US disclosed
WO-2017017436-A1 NEW PROCESS FOR PREPARING HYDROMORPHONE AND DERIVATIVES THEREOF CAMBREX CHARLES CITY, INC. (US) 2017-02-02 WO 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
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF SHIRE LLC (US) 2012-10-25 US disclosed
US-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC 2011-01-20 US disclosed
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS SHIRE LLC (US) 2009-07-30 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 (5 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 OPRD1 170/4885OPRM1 114/4885OPRK1 104/4885
US-20110015182-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF OPRL1, OPRM1, DNPEP OPRD1 6/4885OPRM1 2/4885OPRK1 4/4885
US-10370382-B2 Process for preparing hydromorphone and derivatives thereof CYP1A1, DHPS, CYP11B1 OPRD1 9/4885OPRM1 5/4885OPRK1 11/4885
US-20120270847-A1 NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF OPRL1, OPRM1, DNPEP OPRD1 7/4885OPRM1 2/4885OPRK1 4/4885
US-20090192095-A1 AMINO ACID AND PEPTIDE PRODRUGS OF OPIOID ANALGESICS WITH REDUCED GI SIDE-EFFECTS OPRL1, OGFR, OPRK1 OPRD1 8/4885OPRM1 5/4885OPRK1 3/4885

“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.