SCHEMBL3829073

SCHEMBL3829073

CN(C)C(CC=O)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.47
OPRL1 P41146 8/20 0.47
AOC3 Q16853 1/20 0.43

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
SCHEMBL6421263 0.83 CES2 (0.32) OPRM1OPRL1
SCHEMBL4425980 0.80 AOC3 (0.40) OPRM1AOC3
SCHEMBL3825964 0.79 CHRNB2 (0.46) OPRM1
SCHEMBL4435860 0.79 CES2 (0.36) OPRM1OPRL1
SCHEMBL25305125 0.78 OPRM1 (0.50) OPRM1OPRL1AOC3
SCHEMBL16045210 0.78 SLC6A2 (0.51) OPRM1OPRL1AOC3
SCHEMBL7244888 0.78 OPRM1 (0.41) OPRM1OPRL1
SCHEMBL7244883 0.78 OPRM1 (0.41) OPRM1OPRL1
SCHEMBL3137016 0.78 HDAC4 (0.43) AOC3
SCHEMBL12861273 0.76 OPRM1 (0.52) OPRM1OPRL1AOC3

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
EP-2099762-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-16 EP disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
WO-2008068266-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1527050-A1 QUINOLINE DERIVATIVES AND THEIR USE AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-04 EP disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2004011436-A1 QUINOLINE DERIVATIVES AND THEIR USE AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-05 WO disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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 (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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 OPRM1 30/4885OPRL1 12/4885AOC3 3180/4885

“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.