SCHEMBL4435860

SCHEMBL4435860

CN(C)C(CC=O)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PDPK1 O15530 1/20 0.33
MME P08473 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 2/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4425980 0.81 AOC3 (0.40) OPRM1
SCHEMBL3829073 0.79 OPRM1 (0.47) OPRM1OPRL1
SCHEMBL6421263 0.77 CES2 (0.32) CES2CES1OPRM1OPRL1
Hydrochloric Acid SCHEMBL4740359 0.76 AOC3 (0.39) OPRM1
SCHEMBL6423549 0.75 CES2 (0.37) CES2CES1OPRM1OPRL1MAPT
SCHEMBL29279108 0.73 CHEK1 (0.40) CES2CES1OPRM1OPRL1
SCHEMBL3825964 0.73 CHRNB2 (0.46) OPRM1KDM4EMAPTALDH1A1
SCHEMBL4432794 0.72 CES2 (0.37) CES2CES1OPRM1MAPTALDH1A1
Hydrochloric Acid SCHEMBL5669807 0.72 CHEK1 (0.39) CES2CES1OPRM1OPRL1
SCHEMBL15562837 0.71 ALDH1A1 (0.50) OPRM1ALDH1A1

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 3 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

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 1861/4885PDPK1 3429/4885

“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.