SCHEMBL2585902

SCHEMBL2585902

O=C1CCC[C@H]2CC[C@@H](c3cc(F)c(F)cc3F)N12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.32
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
HTT P42858 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
SCHEMBL5139123 1.00 P2RX7 (0.32) P2RX7DPP4FAPDPP8DPP9
SCHEMBL2587450 0.84 P2RX7 (0.38) P2RX7DPP4HCRTR1HCRTR2MEN1
SCHEMBL2575522 0.84 P2RX7 (0.38) P2RX7HCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL2587883 0.79 P2RX7 (0.39) P2RX7HCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL4088718 0.79 P2RX7 (0.38) P2RX7MEN1ALDH1A1TSHRKMT2A
SCHEMBL2577904 0.79 P2RX7 (0.33) P2RX7MEN1ALDH1A1TSHRKMT2A
SCHEMBL2578323 0.79 HCRTR1 (0.34) P2RX7HCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL2578837 0.77 MEN1 (0.36) P2RX7MEN1ALDH1A1TSHRKMT2A
SCHEMBL2581234 0.75 ALDH1A1 (0.39) P2RX7MEN1ALDH1A1TSHRKMT2A
SCHEMBL2587657 0.75 ALDH1A1 (0.39) P2RX7MEN1ALDH1A1TSHRKMT2A

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 P2RX7 1836/4885DPP4 4773/4885FAP 4567/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 P2RX7 1836/4885DPP4 4773/4885FAP 4567/4885

“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.