SCHEMBL5124897

SCHEMBL5124897

NC(=O)c1ccc(Oc2ccc3c(c2)C(NCC(F)(F)C(F)(F)C(F)(F)F)CC3)nc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
OPRM1 P35372 18/20 0.46
OPRD1 P41143 17/20 0.46
OPRK1 P41145 14/20 0.46

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
SCHEMBL388423 0.93 HRH3 (0.48) HRH3OPRM1OPRD1OPRK1
SCHEMBL389687 0.88 HRH3 (0.49) HRH3OPRM1OPRD1OPRK1
SCHEMBL388365 0.84 HRH3 (0.52) HRH3OPRM1OPRD1OPRK1
SCHEMBL388735 0.79 OPRM1 (0.54) HRH3OPRM1OPRD1OPRK1
SCHEMBL389427 0.78 OPRM1 (0.49) HRH3OPRM1OPRD1OPRK1
SCHEMBL385123 0.76 HRH3 (0.57) HRH3OPRM1OPRD1OPRK1
SCHEMBL385590 0.76 OPRM1 (0.57) HRH3OPRM1OPRD1OPRK1
SCHEMBL390130 0.76 HRH3 (0.52) HRH3OPRM1OPRD1OPRK1
SCHEMBL389978 0.76 OPRM1 (0.56) HRH3OPRM1OPRD1OPRK1
SCHEMBL388303 0.75 OPRM1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399774-B2 6-substituted nicotinamide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-15 US 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 (1 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

“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.