SCHEMBL2585862

SCHEMBL2585862

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
TRPM5 Q9NZQ8 12/20 0.38
TRPM4 Q8TD43 8/20 0.38
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL2581080 0.84 KCNH2 (0.34) TRPM5TRPM4MEN1ALDH1A1HPGD
SCHEMBL2585459 0.80 HTR2A (0.35) TRPM5TRPM4
SCHEMBL29334281 0.78 TRPM5 (0.32) TRPM5TRPM4
SCHEMBL2578504 0.75 TRPM5 (0.39) PTGS2TRPM5TRPM4MEN1ALDH1A1
SCHEMBL2349484 0.73 TRPM5 (0.32) TRPM5
SCHEMBL2344424 0.72 CHRNA7 (0.32) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL16564923 0.72 PNMT (0.38) ALDH1A1MAPT
SCHEMBL16553583 0.72 PNMT (0.38) ALDH1A1MAPT
SCHEMBL3618110 0.72 CHRNA7 (0.32) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL29337867 0.67

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 PTGS2 1483/4885TRPM5 2497/4885TRPM4 2949/4885
US-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 PTGS2 4180/4885TRPM5 225/4885TRPM4 123/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 PTGS2 1483/4885TRPM5 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.