SCHEMBL4513172

SCHEMBL4513172

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.35
FFAR2 O15552 2/20 0.33
TEAD1 P28347 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HSD11B1 P28845 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL4513168 1.00 MDM2 (0.35) MDM2FFAR2TEAD1DRD2DRD4
SCHEMBL4502251 0.87 FFAR2 (0.38) MDM2FFAR2HSD11B1HDAC8
SCHEMBL3617782 0.87 FFAR2 (0.35) MDM2FFAR2
SCHEMBL2583127 0.87 FFAR2 (0.35) MDM2FFAR2
SCHEMBL4502256 0.87 FFAR2 (0.38) MDM2FFAR2HSD11B1HDAC8
SCHEMBL4087759 0.85 FFAR2 (0.37) FFAR2HDAC6
SCHEMBL4087764 0.85 FFAR2 (0.37) FFAR2HDAC6
SCHEMBL4087306 0.82 FFAR2 (0.34) FFAR2HSD11B1
SCHEMBL4089653 0.82 FFAR2 (0.34) FFAR2HSD11B1
SCHEMBL2583133 0.82 MDM2 (0.34) MDM2FFAR2HSD11B1

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 MDM2 849/4885FFAR2 3021/4885TEAD1 3109/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 MDM2 849/4885FFAR2 3021/4885TEAD1 3109/4885

“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.