SCHEMBL2581482

SCHEMBL2581482

C=CCC(=O)N1[C@@H](CO)CCC[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
FFAR2 O15552 1/20 0.36
USP30 Q70CQ3 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPA1 O75762 2/20 0.33
OPRK1 P41145 1/20 0.33
PKM P14618 1/20 0.32
RIPK1 Q13546 2/20 0.32
ADAMTS5 Q9UNA0 1/20 0.31
MGLL Q99685 2/20 0.30
RAB9A P51151 1/20 0.30
ADRA2A P08913 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
SCHEMBL2581098 0.88 MEN1 (0.33) DPP4DPP8MEN1KMT2AOPRK1
SCHEMBL4093122 0.87 TRPA1 (0.38) FFAR2DPP4DPP8MEN1KMT2A
SCHEMBL4509292 0.86 FFAR2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2578482 0.85 OPRK1 (0.37) FFAR2KMT2AOPRK1
SCHEMBL2578423 0.82 FFAR2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4509815 0.81 FFAR2 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4509140 0.81 FFAR2 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4509143 0.81 FFAR2 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2585660 0.79 FFAR2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2587848 0.79 FFAR2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 3/4885PSEN2 6/4885APH1B 11/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 11/4885

“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.