SCHEMBL2586240

SCHEMBL2586240

CCOC(=O)C=CC1CN(C(=O)OC)CC(c2cc(F)c(F)c(F)c2)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HTT P42858 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM1 P11229 1/20 0.32
F10 P00742 1/20 0.31
MAOB P27338 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
SCHEMBL2577909 0.80 PDE4A (0.39) HDAC1HDAC2HTTPDE4APDE4B
SCHEMBL2589964 0.75 CHRNB2 (0.35) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL15420183 0.68 ESR2 (0.39) HDAC2L3MBTL1MAOBCCR2XPO1
SCHEMBL2347960 0.63 KCNH2 (0.38) MAPTALDH1A1KDM4EMAOB
SCHEMBL2581475 0.62 L3MBTL1 (0.32) ALDH1A1L3MBTL1XPO1
SCHEMBL19510601 0.58 ALDH1A1 (0.36) HTTMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL15282398 0.57 CYP3A4 (0.48) MAPTPOLBMAOBXPO1
SCHEMBL15282396 0.57 CYP3A4 (0.48) MAPTPOLBMAOBXPO1
SCHEMBL6320386 0.57 NR1H2 (0.44) HDAC1HDAC2MAPTALDH1A1L3MBTL1
SCHEMBL6320392 0.57 NR1H2 (0.44) HDAC1HDAC2MAPTALDH1A1L3MBTL1

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 HDAC1 1001/4885HDAC2 476/4885HTT 544/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 HDAC1 1001/4885HDAC2 476/4885HTT 544/4885

“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.