SCHEMBL4510283

SCHEMBL4510283

C=CC(=O)N1[C@H](C=C)CCC[C@@H]1c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
KCNH2 Q12809 1/20 0.40
TRPA1 O75762 3/20 0.38
FFAR2 O15552 2/20 0.36
ACHE P22303 1/20 0.36
PAX8 Q06710 1/20 0.36
SRC P12931 1/20 0.35
EGFR P00533 1/20 0.35
RIPK1 Q13546 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CACNA1H O95180 1/20 0.34
NR3C2 P08235 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL4337937 0.85 TRPA1 (0.40) TRPA1FFAR2RIPK1NR3C2MAOA
SCHEMBL4337943 0.85 TRPA1 (0.40) TRPA1FFAR2RIPK1NR3C2MAOA
SCHEMBL4521465 0.84 FFAR2 (0.38) TRPA1FFAR2RIPK1MAOAMAOB
SCHEMBL4521461 0.84 FFAR2 (0.38) TRPA1FFAR2RIPK1MAOAMAOB
SCHEMBL8038037 0.83 GSK3B (0.38) GSK3BKCNH2TRPA1FFAR2ACHE
SCHEMBL4521278 0.82 FFAR2 (0.36) TRPA1FFAR2MAOAMAOB
SCHEMBL4521277 0.82 FFAR2 (0.36) TRPA1FFAR2MAOAMAOB
SCHEMBL4097126 0.78 FFAR2 (0.43) TRPA1FFAR2MAOAMAOB
SCHEMBL4092908 0.75 FFAR2 (0.42) TRPA1FFAR2MAOAMAOB
SCHEMBL22040883 0.74 FFAR2 (0.43) FFAR2

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 GSK3B 684/4885KCNH2 2785/4885TRPA1 1300/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 GSK3B 684/4885KCNH2 2785/4885TRPA1 1300/4885

“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.