SCHEMBL2584669

SCHEMBL2584669

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
GPX4 P36969 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
FFAR2 O15552 1/20 0.32
MDM2 Q00987 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2584668 1.00 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3SMN1; SMN2GPX4
SCHEMBL3617782 0.94 FFAR2 (0.35) SLC6A2SLC6A4SLC6A3GPX4FFAR2
SCHEMBL2583127 0.94 FFAR2 (0.35) SLC6A2SLC6A4SLC6A3GPX4FFAR2
SCHEMBL2585656 0.87 FFAR2 (0.35) ATMFFAR2
SCHEMBL2587846 0.87 FFAR2 (0.35) ATMFFAR2
SCHEMBL2578078 0.85 GPX4 (0.33) SLC6A2SLC6A4SLC6A3GPX4DRD2
SCHEMBL2579801 0.85 GPX4 (0.33) SLC6A2SLC6A4SLC6A3GPX4DRD2
SCHEMBL2578081 0.85 GPX4 (0.33) SLC6A2SLC6A4SLC6A3GPX4DRD2
SCHEMBL2581022 0.83 RIPK1 (0.30)
SCHEMBL2584839 0.83 RIPK1 (0.30)

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 8 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-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed
US-7737141-B2 such as -{4-{1-[(S)-1-(4-fluorophenyl)ethyl]-2-oxopiperidin-(3E)-ylidenemethyl}-2-methoxyphenyl}-5-methyl-1-(phosphonooxymethyl)-3H-imidazol-1-ium trifluoroacetate, which inhibit the synthesis of amyloid precursor proteins; treatment of Alzheimer's disease, Down syndrome or amyloidosis EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-15 US 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
US-20090048213-A1 Prodrug of cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2009-02-19 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 (3 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 SLC6A2 3307/4885SLC6A4 4441/4885SLC6A3 4621/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 SLC6A2 3967/4885SLC6A4 4434/4885SLC6A3 4495/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 SLC6A2 3307/4885SLC6A4 4441/4885SLC6A3 4621/4885

“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.