SCHEMBL2585809

SCHEMBL2585809

OC[C@H]1CC[C@@H](c2cc(F)c(F)c(F)c2)N1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 4/20 0.33
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR5 Q9H228 2/20 0.33
TRPM4 Q8TD43 2/20 0.31
S1PR3 Q99500 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
SCHEMBL2344418 0.90 TRPM5 (0.32) TRPM5S1PR4S1PR1S1PR5TRPM4
SCHEMBL2349484 0.79 TRPM5 (0.32) TRPM5
SCHEMBL22040870 0.77 KCNH2 (0.46) TRPM5S1PR4S1PR1S1PR5TRPM4
SCHEMBL22040875 0.77 KCNH2 (0.46) TRPM5S1PR4S1PR1S1PR5TRPM4
SCHEMBL22040882 0.77 KCNH2 (0.46) TRPM5S1PR4S1PR1S1PR5TRPM4
SCHEMBL23878267 0.77 KCNH2 (0.46) TRPM5S1PR4S1PR1S1PR5TRPM4
SCHEMBL23878268 0.77 KCNH2 (0.46) TRPM5S1PR4S1PR1S1PR5TRPM4
SCHEMBL25256114 0.77 KCNH2 (0.46) TRPM5S1PR4S1PR1S1PR5TRPM4
SCHEMBL15832300 0.77 PTPN5 (0.37)
SCHEMBL2587052 0.76 TRPM5 (0.34) TRPM5TRPM4

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 11 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-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 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-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 US 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 (4 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 TRPM5 2497/4885S1PR4 2757/4885S1PR1 670/4885
US-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 TRPM5 225/4885S1PR4 864/4885S1PR1 468/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 TRPM5 4466/4885S1PR4 737/4885S1PR1 442/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 TRPM5 2497/4885S1PR4 2757/4885S1PR1 670/4885

“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.