Nalmefene

Nalmefene

SCHEMBL17168341

C=C1CC[C@@]2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)[C@H]1O5

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRD1OPRK1OPRM1

The experimentally established mechanism targets of Nalmefene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 known ✓ P41143 12/20 1.00
OPRM1 known ✓ P35372 10/20 1.00
OPRK1 known ✓ P41145 9/20 1.00
NR1I2 O75469 1/20 1.00
KCNH2 Q12809 1/20 1.00
CYP2D6 P10635 3/20 0.80
CYP1A2 P05177 2/20 0.80
CHRNA7 P36544 1/20 0.80
PKM P14618 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.78
LMNA P02545 1/20 0.77
HIF1A Q16665 1/20 0.77
MAPT P10636 2/20 0.70
KDM4E B2RXH2 2/20 0.70
USP2 O75604 1/20 0.70
CYP3A4 P08684 1/20 0.70
TSHR P16473 1/20 0.70
HSD17B10 Q99714 1/20 0.70
MAPK8 P45983 1/20 0.70
MAPK9 P45984 1/20 0.70

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
Nalmefene SCHEMBL14124638 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1NR1I2KCNH2
Nalmefene SCHEMBL4556466 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1NR1I2KCNH2
Nalmefene SCHEMBL18827079 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1NR1I2KCNH2
Nalmefene SCHEMBL12646154 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1NR1I2KCNH2
Nalmefene SCHEMBL18457569 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1NR1I2KCNH2
Nalmefene SCHEMBL35230 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1NR1I2KCNH2
Nalmefene SCHEMBL18160036 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1NR1I2KCNH2
Nalmefene SCHEMBL12945213 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1NR1I2KCNH2
Nalmefene SCHEMBL12566030 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1NR1I2KCNH2
Nalmefene SCHEMBL12233286 1.00 OPRD1 (1.00) OPRD1OPRM1OPRK1NR1I2KCNH2

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-20190308988-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS NIRSUM LABORATORIES, INC. 2019-10-10 US disclosed
US-10005791-B2 O-demethylating process of methoxy substituted morphinan-6-one derivatives NORAMCO GMBH (CH) 2018-06-26 US disclosed
US-10005791-B2 O-demethylating process of methoxy substituted morphinan-6-one derivatives NORAMCO GMBH (CH) 2018-06-26 US disclosed
US-9969746-B2 Opioid compounds and their uses THE UNIVERSITY OF BATH (GB) 2018-05-15 US disclosed
EP-3129383-B1 O-DEMETHYLATING PROCESS OF METHOXY SUBSTITUTED MORPHINAN-6-ONE DERIVATIVES CILAG AG (CH) 2018-02-28 EP disclosed
US-9757372-B2 Toll-like receptor 4 antagonists and use in autoimmune liver diseases TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2017-09-12 US disclosed
US-20170022211-A1 O-DEMETHYLATING PROCESS OF METHOXY SUBSTITUTED MORPHINAN-6-ONE DERIVATIVES CILAG AG (CH) 2017-01-26 US disclosed
US-20170022211-A1 O-DEMETHYLATING PROCESS OF METHOXY SUBSTITUTED MORPHINAN-6-ONE DERIVATIVES CILAG AG (CH) 2017-01-26 US disclosed
WO-2015155181-A1 O-DEMETHYLATING PROCESS OF METHOXY SUBSTITUTED MORPHINAN-6-ONE DERIVATIVES CILAG AG (CH) 2015-10-15 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 (3 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-20170022211-A1 O-DEMETHYLATING PROCESS OF METHOXY SUBSTITUTED MORPHINAN-6-ONE DERIVATIVES TET2, ALKBH5, METTL3 OPRD1 251/4885OPRM1 101/4885OPRK1 404/4885
US-20190308988-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS OPRM1, OPRK1, OPRL1 OPRD1 4/4885OPRM1 1/4885OPRK1 2/4885
US-10005791-B2 O-demethylating process of methoxy substituted morphinan-6-one derivatives TET2, ALKBH5, METTL3 OPRD1 277/4885OPRM1 111/4885OPRK1 430/4885

“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.