SCHEMBL2586089

SCHEMBL2586089

Fc1ccccc1/C=N\Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
NFE2L2 Q16236 3/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 2/20 0.42
MAOB P27338 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2586091 1.00 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11977408 0.81 MAPT (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19439625 0.79 CA2 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13133375 0.73 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7580866 0.72 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30073008 0.71 CA12 (0.68) ALDH1A1CA1CA2CYP1A2POLB
SCHEMBL8671761 0.70 CYP1A2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27751806 0.70 RAB9A (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8871156 0.70 CYP1A2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8671762 0.70 CYP1A2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 5 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 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 (2 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 GRIN2D 535/4885GRIN3B 1567/4885GRIN1 142/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 GRIN2D 535/4885GRIN3B 1567/4885GRIN1 142/4885

“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.