SCHEMBL4501426

SCHEMBL4501426

COC(=O)C=CCC[C@@H]1CC[C@H](c2ccc(F)c(F)c2)N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.41
NR1H4 Q96RI1 1/20 0.33
HCRTR2 O43614 2/20 0.33
ATM Q13315 1/20 0.33
TRPA1 O75762 1/20 0.33
P2RX7 Q99572 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
SLC6A9 P48067 2/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL4501421 1.00 FFAR2 (0.41) FFAR2NR1H4HCRTR2ATMTRPA1
SCHEMBL4512672 1.00 FFAR2 (0.41) FFAR2NR1H4HCRTR2ATMTRPA1
SCHEMBL4512679 1.00 FFAR2 (0.41) FFAR2NR1H4HCRTR2ATMTRPA1
SCHEMBL2588178 0.88 FFAR2 (0.37) FFAR2NR1H4HCRTR2PSEN1PSEN2
SCHEMBL2585724 0.88 FFAR2 (0.37) FFAR2NR1H4HCRTR2PSEN1PSEN2
SCHEMBL4501609 0.82 FFAR2 (0.44) FFAR2HCRTR2ATMTRPA1P2RX7
SCHEMBL2584676 0.82 FFAR2 (0.44) FFAR2HCRTR2ATMTRPA1P2RX7
SCHEMBL4501814 0.80 FFAR2 (0.44) FFAR2HCRTR2ATMP2RX7
SCHEMBL4087604 0.80 FFAR2 (0.44) FFAR2HCRTR2ATMP2RX7
SCHEMBL4087600 0.80 FFAR2 (0.44) FFAR2HCRTR2ATMP2RX7

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 FFAR2 3021/4885NR1H4 4303/4885HCRTR2 539/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 FFAR2 3021/4885NR1H4 4303/4885HCRTR2 539/4885

“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.