SCHEMBL2683751

SCHEMBL2683751

O=C(O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C(CN2CCCC2)C1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.82
OPRM1 P35372 2/20 0.78
CYP3A4 P08684 2/20 0.78
CYP2D6 P10635 2/20 0.78
CYP2C9 P11712 2/20 0.78
CYP2C19 P33261 2/20 0.78
OPRD1 P41143 2/20 0.78
TDP1 Q9NUW8 2/20 0.78
BLM P54132 2/20 0.73
MEN1 O00255 1/20 0.73
LMNA P02545 1/20 0.73
MAPK1 P28482 1/20 0.73
KMT2A Q03164 1/20 0.73
NPSR1 Q6W5P4 1/20 0.73
NPC1 O15118 1/20 0.71
CYP1A2 P05177 1/20 0.71
NFKB1 P19838 1/20 0.71
HIF1A Q16665 1/20 0.71
PMP22 Q01453 1/20 0.69
DRD4 P21917 1/20 0.69

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
Fumaric Acid SCHEMBL10417814 0.95 BLM (0.81) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
Fumaric Acid SCHEMBL10417816 0.95 BLM (0.81) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8221863 0.90 OPRK1 (1.00) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL8221866 0.90 OPRK1 (1.00) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL9651995 0.90 OPRK1 (0.81) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5629280 0.89 OPRK1 (0.79) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
SCHEMBL10417791 0.89 OPRK1 (1.00) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5629714 0.89 OPRK1 (0.98) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5629721 0.89 OPRK1 (0.98) OPRK1OPRM1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6359486 0.89 OPRK1 (0.79) OPRK1OPRM1CYP3A4CYP2D6CYP2C9

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
WO-2001015678-A2 TOPICAL USE OF KAPPA OPIOID AGONISTS TO TREAT OTIC PAIN ALCON LABORATORIES, INC. (US) 2001-03-08 WO claimed
US-6174878-B1 OR INTRANASAL COMPOSITION E.G., ASIMADOLINE (EMD-61753), ENADOLINE, BENZENEACETAMIDE, AS AN ANALGESIC FOR EAR INFECTION, SWIMMER'S EAR, ETC.; ACTIVATION OF SPECIFIC RECEPTORS SO NO SIDE EFFECTS ALCON LABORATORIES, INC. 2001-01-16 US claimed
EP-2252581-B1 KAPPA SELECTIVE OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2012-06-20 EP disclosed
US-8173695-B2 Kappa selective opioid receptor antagonist ELI LILLY AND COMPANY (US) 2012-05-08 US disclosed
US-20100197669-A1 KAPPA SELECTIVE OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2010-08-05 US disclosed
US-7709522-B2 Kappa selective opioid receptor antagonist ELI LILLY AND COMPANY (US) 2010-05-04 US disclosed
US-20090186873-A1 KAPPA SELECTIVE OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY 2009-07-23 US disclosed
WO-2001015678-A2 TOPICAL USE OF KAPPA OPIOID AGONISTS TO TREAT OTIC PAIN ALCON LABORATORIES, INC. (US) 2001-03-08 WO disclosed
US-6174878-B1 OR INTRANASAL COMPOSITION E.G., ASIMADOLINE (EMD-61753), ENADOLINE, BENZENEACETAMIDE, AS AN ANALGESIC FOR EAR INFECTION, SWIMMER'S EAR, ETC.; ACTIVATION OF SPECIFIC RECEPTORS SO NO SIDE EFFECTS ALCON LABORATORIES, INC. 2001-01-16 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 (2 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-20090186873-A1 KAPPA SELECTIVE OPIOID RECEPTOR ANTAGONIST OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRM1 3/4885CYP3A4 3225/4885
US-20100197669-A1 KAPPA SELECTIVE OPIOID RECEPTOR ANTAGONIST OPRK1, OPRD1, OPRM1 OPRK1 1/4885OPRM1 3/4885CYP3A4 3225/4885

“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.