SCHEMBL388179

SCHEMBL388179

NC(=O)c1ccc(Oc2ccc3c(c2)CCC3CNCC2CCCCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 0.55
OPRD1 P41143 18/20 0.55
OPRK1 P41145 14/20 0.55
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL389637 0.93 OPRM1 (0.56) OPRM1OPRD1OPRK1HRH3
SCHEMBL388730 0.93 OPRM1 (0.55) OPRM1OPRD1OPRK1HRH3
SCHEMBL388220 0.92 OPRM1 (0.55) OPRM1OPRD1OPRK1HRH3
SCHEMBL388353 0.88 OPRM1 (0.56) OPRM1OPRD1OPRK1HRH3
SCHEMBL388691 0.87 OPRM1 (0.55) OPRM1OPRD1OPRK1HRH3
SCHEMBL389818 0.85 OPRM1 (0.63) OPRM1OPRD1OPRK1HRH3
SCHEMBL388161 0.85 OPRM1 (0.53) OPRM1OPRD1OPRK1HRH3
SCHEMBL385094 0.84 HRH3 (0.57) OPRM1OPRD1OPRK1HRH3
SCHEMBL388387 0.84 OPRM1 (0.64) OPRM1OPRD1OPRK1HRH3
SCHEMBL390130 0.82 HRH3 (0.52) OPRM1OPRD1OPRK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101638-B2 6-substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US claimed
US-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PEDREGAL-TERCERO CONCEPCION 2009-01-22 US claimed
EP-1613597-B1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2007-11-07 EP claimed
US-20060205715-A1 6-Substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY 2006-09-14 US claimed
EP-1613597-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2006-01-11 EP claimed
WO-2004080968-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO claimed
US-8101638-B2 6-substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PEDREGAL-TERCERO CONCEPCION 2009-01-22 US disclosed
US-7399774-B2 6-substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-15 US disclosed
EP-1613597-B1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2007-11-07 EP disclosed
US-20060205715-A1 6-Substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY 2006-09-14 US disclosed
EP-1613597-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2006-01-11 EP disclosed
WO-2004080968-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 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 (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-20060205715-A1 6-Substituted nicotinamide derivatives as opioid receptor antagonists OPRM1, OPRL1, OPRK1 OPRM1 1/4885OPRD1 5/4885OPRK1 3/4885
US-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885

“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.