SCHEMBL2578482

SCHEMBL2578482

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.37
CYP3A4 P08684 1/20 0.35
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
MDM2 Q00987 2/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
FFAR2 O15552 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
SCHEMBL4093122 0.88 TRPA1 (0.38) HSD11B1KMT2AFFAR2
SCHEMBL2581482 0.85 PSEN1 (0.36) OPRK1KMT2AFFAR2
SCHEMBL2581098 0.80 MEN1 (0.33) OPRK1KMT2A
SCHEMBL2584668 0.76 SLC6A2 (0.36) ALDH1A1DRD2DRD4MDM2KMT2A
SCHEMBL2584669 0.76 SLC6A2 (0.36) ALDH1A1DRD2DRD4MDM2KMT2A
SCHEMBL4513172 0.74 MDM2 (0.35) HSD11B1DRD2DRD4MDM2FFAR2
SCHEMBL4513168 0.74 MDM2 (0.35) HSD11B1DRD2DRD4MDM2FFAR2
SCHEMBL4521465 0.72 FFAR2 (0.38) HSD11B1ALDH1A1KMT2AFFAR2
SCHEMBL4521461 0.72 FFAR2 (0.38) HSD11B1ALDH1A1KMT2AFFAR2
SCHEMBL2583129 0.72 MDM2 (0.34) HSD11B1MDM2FFAR2

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 OPRK1 2385/4885CYP3A4 3088/4885HSD11B1 208/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 OPRK1 2625/4885CYP3A4 338/4885HSD11B1 1002/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 OPRK1 2385/4885CYP3A4 3088/4885HSD11B1 208/4885

“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.