SCHEMBL4425980

SCHEMBL4425980

CN(C)C(CC=O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.40
KAT2B Q92831 1/20 0.39
OPRM1 P35372 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
APP P05067 1/20 0.32

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
SCHEMBL6943365 0.82 KAT2B (0.38) AOC3KAT2BOPRM1SLC6A2SLC6A4
SCHEMBL6421263 0.81 CES2 (0.32) OPRM1
SCHEMBL3825964 0.81 CHRNB2 (0.46) KAT2BOPRM1L3MBTL1TDP1KMT2A
SCHEMBL29279108 0.81 CHEK1 (0.40) OPRM1SLC6A4
SCHEMBL4435860 0.81 CES2 (0.36) OPRM1
Hydrochloric Acid SCHEMBL4740359 0.80 AOC3 (0.39) AOC3KAT2BOPRM1KMT2A
Hydrochloric Acid SCHEMBL5669807 0.80 CHEK1 (0.39) OPRM1SLC6A4
SCHEMBL3829073 0.80 OPRM1 (0.47) AOC3OPRM1
SCHEMBL15562837 0.79 ALDH1A1 (0.50) AOC3KAT2BOPRM1TDP1KMT2A
SCHEMBL19402469 0.76 AOC3 (0.44) AOC3KAT2BOPRM1SLC6A2SLC6A4

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 5 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
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 AOC3 3180/4885KAT2B 3927/4885OPRM1 30/4885

“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.