SCHEMBL2586632

SCHEMBL2586632

O=C1CC=C[C@H]2CCC[C@@H](c3ccc(F)c(F)c3)N12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
RIPK1 Q13546 3/20 0.35
CNR1 P21554 2/20 0.33
GRIA4 P48058 1/20 0.33
CNR2 P34972 1/20 0.33
HTR7 P34969 2/20 0.32
PGR P06401 1/20 0.31
SLC6A9 P48067 2/20 0.31
BPTF Q12830 1/20 0.31
TSHR P16473 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
SCHEMBL4089105 0.92 RIPK1 (0.36) L3MBTL1RIPK1CNR1CNR2HTR7
SCHEMBL2584708 0.86
SCHEMBL4096641 0.85 TRPA1 (0.40) TSHR
SCHEMBL4511703 0.85 TRPA1 (0.40) TSHR
SCHEMBL4511699 0.85 TRPA1 (0.40) TSHR
SCHEMBL5123864 0.83 RIPK1 (0.43) RIPK1GRIA4HTR7TSHR
SCHEMBL4512232 0.83 RIPK1 (0.43) RIPK1GRIA4HTR7TSHR
SCHEMBL4512234 0.83 RIPK1 (0.43) RIPK1GRIA4HTR7TSHR
SCHEMBL2584056 0.82 MEN1 (0.38) L3MBTL1CNR1CNR2TSHR
SCHEMBL2590330 0.78

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 L3MBTL1 2853/4885RIPK1 4491/4885CNR1 104/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 L3MBTL1 2853/4885RIPK1 4491/4885CNR1 104/4885

“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.