SCHEMBL2587919

SCHEMBL2587919

O=C1CCC2CC(O)CC(c3ccc(F)c(F)c3)N12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.36
P2RX7 Q99572 3/20 0.34
KDM1A O60341 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR7 P34969 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
SCHEMBL2581124 0.85 MEN1 (0.37) RIPK1P2RX7MEN1KMT2A
SCHEMBL2581567 0.81 P2RX7 (0.41) RIPK1P2RX7MEN1KMT2A
SCHEMBL2588037 0.80 P2RX7 (0.34) RIPK1P2RX7KDM1A
SCHEMBL4513860 0.78 P2RX7 (0.32) P2RX7
SCHEMBL4513488 0.78 P2RX7 (0.32) P2RX7
SCHEMBL3623238 0.78 P2RX7 (0.32) P2RX7
SCHEMBL3623239 0.78 P2RX7 (0.32) P2RX7
SCHEMBL4500998 0.77 TSHR (0.41) RIPK1P2RX7MEN1KMT2A
SCHEMBL4501000 0.77 TSHR (0.41) RIPK1P2RX7MEN1KMT2A
SCHEMBL4521177 0.75 P2RX7 (0.39) RIPK1P2RX7MEN1KMT2A

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 RIPK1 4491/4885P2RX7 1836/4885KDM1A 1703/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 RIPK1 4491/4885P2RX7 1836/4885KDM1A 1703/4885

“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.