SCHEMBL4502256

SCHEMBL4502256

C=CCC(=O)N1[C@@H](C=CC(=O)O)CC[C@H]1c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.38
RAB9A P51151 1/20 0.34
RIPK1 Q13546 1/20 0.34
ADAM17 P78536 2/20 0.34
MDM2 Q00987 2/20 0.33
PDE5A O76074 1/20 0.33
TP53 P04637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CACNA1B Q00975 1/20 0.33
GSK3B P49841 1/20 0.33
CHRNA7 P36544 1/20 0.33
HSD11B1 P28845 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
CXCR4 P61073 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL4502251 1.00 FFAR2 (0.38) FFAR2RAB9ARIPK1ADAM17MDM2
SCHEMBL2588030 0.88 FFAR2 (0.39) FFAR2RIPK1MDM2TP53CACNA1B
SCHEMBL4514297 0.87 RIPK1 (0.37) RIPK1PDE5AHCAR2ADAMTS5
SCHEMBL4514302 0.87 RIPK1 (0.37) RIPK1PDE5AHCAR2ADAMTS5
SCHEMBL4513172 0.87 MDM2 (0.35) FFAR2MDM2HSD11B1HDAC8
SCHEMBL4513168 0.87 MDM2 (0.35) FFAR2MDM2HSD11B1HDAC8
SCHEMBL4087764 0.84 FFAR2 (0.37) FFAR2RIPK1
SCHEMBL4087759 0.84 FFAR2 (0.37) FFAR2RIPK1
SCHEMBL2588032 0.83 FFAR2 (0.38) FFAR2RIPK1ADAM17MDM2PDE5A
SCHEMBL2588033 0.83 FFAR2 (0.38) FFAR2RIPK1ADAM17MDM2PDE5A

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 3021/4885RAB9A 2810/4885RIPK1 4491/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 FFAR2 3021/4885RAB9A 2810/4885RIPK1 4491/4885

“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.