SCHEMBL2588037

SCHEMBL2588037

O=C1CC2CCC(=O)N2C(c2ccc(F)c(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.34
RIPK1 Q13546 4/20 0.34
NOTUM Q6P988 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
AR P10275 1/20 0.32
BPTF Q12830 1/20 0.32
TSHR P16473 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL4513877 0.92 L3MBTL1 (0.34) P2RX7RIPK1L3MBTL1CNR1CNR2
SCHEMBL2581567 0.84 P2RX7 (0.41) P2RX7RIPK1NOTUML3MBTL1TSHR
SCHEMBL2585743 0.84 TRPA1 (0.38) P2RX7NOTUMTSHRKDM1A
SCHEMBL2587919 0.80 RIPK1 (0.36) P2RX7RIPK1KDM1A
SCHEMBL4521177 0.79 P2RX7 (0.39) P2RX7RIPK1L3MBTL1TSHR
SCHEMBL2583972 0.79 P2RX7 (0.39) P2RX7RIPK1L3MBTL1TSHR
SCHEMBL4521180 0.79 P2RX7 (0.39) P2RX7RIPK1L3MBTL1TSHR
SCHEMBL14350417 0.78 KMT2A (0.46) NOTUML3MBTL1TSHR
SCHEMBL3623728 0.78 MAPK1 (0.33) P2RX7
SCHEMBL3623230 0.78 MAPK1 (0.33) P2RX7

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 1836/4885RIPK1 4491/4885NOTUM 1298/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 P2RX7 1836/4885RIPK1 4491/4885NOTUM 1298/4885

“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.