SCHEMBL2581080

SCHEMBL2581080

OC[C@H]1COC[C@@H](c2ccc(F)cc2)N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
TRPM5 Q9NZQ8 4/20 0.33
TRPM4 Q8TD43 3/20 0.33
CA1 P00915 1/20 0.32
PAX8 Q06710 1/20 0.31
HSD11B1 P28845 1/20 0.31
SLC6A2 P23975 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR2B P41595 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM1A O60341 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL2585862 0.84 PTGS2 (0.38) TRPM5TRPM4MEN1ALDH1A1MAPT
SCHEMBL2585459 0.83 HTR2A (0.35) TRPM5TRPM4HTR2AHTR2CHTR2B
SCHEMBL2349484 0.79 TRPM5 (0.32) TRPM5
SCHEMBL22040882 0.78 KCNH2 (0.46) KCNH2TRPM5TRPM4CA1
SCHEMBL22040870 0.78 KCNH2 (0.46) KCNH2TRPM5TRPM4CA1
SCHEMBL23878268 0.78 KCNH2 (0.46) KCNH2TRPM5TRPM4CA1
SCHEMBL22040875 0.78 KCNH2 (0.46) KCNH2TRPM5TRPM4CA1
SCHEMBL23878267 0.78 KCNH2 (0.46) KCNH2TRPM5TRPM4CA1
SCHEMBL25256114 0.78 KCNH2 (0.46) KCNH2TRPM5TRPM4CA1
SCHEMBL23123726 0.75 KDM1A (0.33) KCNH2CA1KDM1ANPSR1TDP1

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-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-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 (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 KCNH2 2785/4885TRPM5 2497/4885TRPM4 2949/4885
US-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 KCNH2 272/4885TRPM5 225/4885TRPM4 123/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 KCNH2 2785/4885TRPM5 2497/4885TRPM4 2949/4885

“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.