SCHEMBL2589964

SCHEMBL2589964

COC(=O)N1CC(CO)NC(c2cc(F)c(F)c(F)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
PDE4B Q07343 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
EED O75530 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
SCHEMBL2577909 0.79 PDE4A (0.39) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL2586240 0.75 HDAC1 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL2585809 0.70 TRPM5 (0.33)
SCHEMBL2344418 0.67 TRPM5 (0.32)
SCHEMBL2349484 0.66 TRPM5 (0.32)
SCHEMBL2578836 0.66 EPHX2 (0.37)
SCHEMBL2584743 0.63 P2RX7 (0.32) CHRNB2CHRNA4CHRNB4CHRNA3HDAC1
SCHEMBL2581655 0.63 P2RX7 (0.36) PDE4BPDE4APDE4CPDE4D
SCHEMBL10416359 0.63 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2345543 0.62 SLC6A3 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3

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 CHRNB2 50/4885CHRNA4 172/4885CHRNB4 188/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 CHRNB2 50/4885CHRNA4 172/4885CHRNB4 188/4885

“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.