SCHEMBL4056330

SCHEMBL4056330

COC(=O)C=C[C@H]1CC[C@@H](c2ccc(Cl)cc2)N1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
GPX4 P36969 1/20 0.38
RIPK1 Q13546 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4056327 1.00 FFAR2 (0.41) FFAR2SLC6A2SLC6A4SLC6A3GPX4
SCHEMBL4520271 0.86 FFAR2 (0.45) FFAR2SLC6A3RIPK1ALDH1A1KDM4E
SCHEMBL4520273 0.86 FFAR2 (0.45) FFAR2SLC6A3RIPK1ALDH1A1KDM4E
SCHEMBL2581199 0.85 STS (0.39) FFAR2SLC6A2SLC6A4SLC6A3GPX4
SCHEMBL3628133 0.85 STS (0.39) FFAR2SLC6A2SLC6A4SLC6A3GPX4
SCHEMBL4501814 0.85 FFAR2 (0.44) FFAR2
SCHEMBL4501818 0.85 FFAR2 (0.44) FFAR2
SCHEMBL4087604 0.85 FFAR2 (0.44) FFAR2
SCHEMBL4087600 0.85 FFAR2 (0.44) FFAR2
SCHEMBL2583127 0.84 FFAR2 (0.35) FFAR2SLC6A2SLC6A4SLC6A3GPX4

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 5 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-2048143-A1 PRODRUG OF CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP 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 3021/4885SLC6A2 3307/4885SLC6A4 4441/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 FFAR2 3021/4885SLC6A2 3307/4885SLC6A4 4441/4885

“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.