SCHEMBL4507568

SCHEMBL4507568

O=C(O)C1CCC(c2cc(F)c(F)cc2F)=N1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALPL P05186 2/20 0.31
POLB P06746 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
SCHEMBL4507563 1.00 CYP11B1 (0.33) CYP11B1CYP11B2ALPLPOLB
SCHEMBL4515003 0.83 KMO (0.40)
SCHEMBL4515010 0.83 KMO (0.40)
SCHEMBL4520126 0.83 KIF11 (0.43)
SCHEMBL4520128 0.83 KIF11 (0.43)
SCHEMBL2588467 0.79 ALDH1A1 (0.39) CYP11B1CYP11B2POLB
SCHEMBL4510426 0.78 CES2 (0.33) POLB
SCHEMBL4510422 0.78 CES2 (0.33) POLB
SCHEMBL4516734 0.75 APAF1 (0.33) POLB
SCHEMBL4516730 0.75 APAF1 (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 CYP11B1 96/4885CYP11B2 198/4885ALPL 4841/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 CYP11B1 96/4885CYP11B2 198/4885ALPL 4841/4885

“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.