SCHEMBL4429231

SCHEMBL4429231

CN(C)C(CC=O)c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
BCHE P06276 1/20 0.34
KAT2B Q92831 1/20 0.34
OPRM1 P35372 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
RIPK1 Q13546 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CFD P00746 1/20 0.31

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
SCHEMBL4588112 0.74 AOC3 (0.43) OPRM1
SCHEMBL6423549 0.74 CES2 (0.37) CES2CES1OPRM1RIPK1
SCHEMBL4432794 0.74 CES2 (0.37) CES2CES1OPRM1RIPK1
SCHEMBL19801164 0.73 NISCH (0.38) OPRM1NISCH
Hydrochloric Acid SCHEMBL22323224 0.73 AOC3 (0.42) OPRM1
SCHEMBL3829073 0.71 OPRM1 (0.47) OPRM1
SCHEMBL20826235 0.70 CES2 (0.40) CES2CES1BCHE
SCHEMBL4425980 0.69 AOC3 (0.40) KAT2BOPRM1TDP1
SCHEMBL4435860 0.69 CES2 (0.36) CES2CES1OPRM1
SCHEMBL13050567 0.69 CNR1 (0.39) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1480954-B1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-12-03 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP 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 CES2 1914/4885CES1 1861/4885BCHE 4031/4885

“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.