SCHEMBL4510426

SCHEMBL4510426

O=C(O)C1CCC(c2ccc(F)c(F)c2F)=N1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
EPHX2 P34913 4/20 0.33
NOTUM Q6P988 1/20 0.33
GRIN2B Q13224 3/20 0.32
KIF11 P52732 1/20 0.32
POLB P06746 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL4510422 1.00 CES2 (0.33) CES2CES1EPHX2NOTUMGRIN2B
SCHEMBL4515003 0.81 KMO (0.40)
SCHEMBL4515010 0.81 KMO (0.40)
SCHEMBL4520126 0.81 KIF11 (0.43) KIF11
SCHEMBL4520128 0.81 KIF11 (0.43) KIF11
SCHEMBL2585015 0.80 ALDH1A1 (0.38) GRIN2BPOLB
SCHEMBL4508130 0.79
SCHEMBL4508124 0.79
SCHEMBL4507563 0.78 CYP11B1 (0.33) POLB
SCHEMBL4507568 0.78 CYP11B1 (0.33) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (2 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 CES2 381/4885CES1 83/4885EPHX2 2201/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 CES2 381/4885CES1 83/4885EPHX2 2201/4885

“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.