SCHEMBL2585459

SCHEMBL2585459

OC[C@H]1COC[C@@H](c2ccc(F)c(F)c2)N1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA1H O95180 1/20 0.34
TRPM5 Q9NZQ8 7/20 0.33
TRPM4 Q8TD43 4/20 0.33
KDM1A O60341 3/20 0.33
MAOB P27338 1/20 0.33
IDO1 P14902 2/20 0.31
TDO2 P48775 2/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
MAPK1 P28482 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
SCHEMBL2349484 0.85 TRPM5 (0.32) TRPM5
SCHEMBL2581080 0.83 KCNH2 (0.34) HTR2AHTR2CHTR2BTRPM5TRPM4
SCHEMBL2585862 0.80 PTGS2 (0.38) TRPM5TRPM4
SCHEMBL4336509 0.78 KDM1A (0.37) HTR2AHTR2CHTR2BTRPM5TRPM4
SCHEMBL2353741 0.74 IDO1 (0.32) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL29334281 0.72 TRPM5 (0.32) TRPM5TRPM4
SCHEMBL7225260 0.69 PRKACA (0.44) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL24700319 0.69 CHRNB2 (0.45) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL7225598 0.67 ABCC9 (0.37) HTR2AHTR2CHTR2BIDO1TDO2
SCHEMBL16564923 0.66 PNMT (0.38)

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 HTR2A 884/4885HTR2C 2035/4885HTR2B 1336/4885
US-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 HTR2A 2030/4885HTR2C 1058/4885HTR2B 916/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 HTR2A 884/4885HTR2C 2035/4885HTR2B 1336/4885

“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.