SCHEMBL388331

SCHEMBL388331

NC(=O)c1ccc(Oc2ccc3c(c2)CCCC3N2CCc3ccccc3C2)nc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.64
OPRM1 P35372 17/20 0.56
OPRD1 P41143 16/20 0.56
OPRK1 P41145 14/20 0.56

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
SCHEMBL388149 0.95 HRH3 (0.64) HRH3OPRM1OPRD1OPRK1
SCHEMBL5712770 0.85 HRH3 (0.48) HRH3OPRM1OPRD1OPRK1
SCHEMBL385447 0.85 HRH3 (0.56) HRH3OPRM1OPRD1OPRK1
SCHEMBL389441 0.85 HRH3 (0.59) HRH3OPRM1OPRD1OPRK1
SCHEMBL385344 0.83 HRH3 (0.57) HRH3OPRM1OPRD1OPRK1
SCHEMBL5712716 0.82 OPRM1 (0.46) HRH3OPRM1OPRD1OPRK1
SCHEMBL387335 0.80 HRH3 (0.54) HRH3OPRM1OPRD1OPRK1
SCHEMBL388688 0.80 HRH3 (0.54) HRH3OPRM1OPRD1OPRK1
SCHEMBL387332 0.80 OPRM1 (0.49) HRH3OPRM1OPRD1OPRK1
SCHEMBL3699427 0.80 HRH3 (0.83) HRH3OPRM1OPRD1OPRK1

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 11 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

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 HRH3 590/4885OPRM1 1/4885OPRD1 5/4885
US-20090023785-A1 6-SUBSTITUTED NICOTINAMIDE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRK1, OPRD1 HRH3 587/4885OPRM1 1/4885OPRD1 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.