SCHEMBL2586430

SCHEMBL2586430

O=C1CCC[C@H]2COC[C@@H](c3ccc(F)c(F)c3)N12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
PGR P06401 2/20 0.33
P2RX7 Q99572 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
GRIA4 P48058 1/20 0.30
SLC6A9 P48067 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3403084 0.87 RIPK1 (0.31) RIPK1MEN1KMT2AALDH1A1TSHR
SCHEMBL2584768 0.87 RIPK1 (0.31) RIPK1MEN1KMT2AALDH1A1TSHR
SCHEMBL4513902 0.87 RIPK1 (0.31) RIPK1MEN1KMT2AALDH1A1TSHR
SCHEMBL3405196 0.87 RIPK1 (0.31) RIPK1MEN1KMT2AALDH1A1TSHR
SCHEMBL4519069 0.85 TSHR (0.44) RIPK1MEN1KMT2AALDH1A1TSHR
SCHEMBL8136568 0.85 TSHR (0.44) RIPK1MEN1KMT2AALDH1A1TSHR
SCHEMBL2583972 0.84 P2RX7 (0.39) RIPK1MEN1KMT2AALDH1A1TSHR
SCHEMBL4088718 0.84 P2RX7 (0.38) RIPK1MEN1KMT2AALDH1A1TSHR
SCHEMBL4521177 0.84 P2RX7 (0.39) RIPK1MEN1KMT2AALDH1A1TSHR
SCHEMBL4521180 0.84 P2RX7 (0.39) RIPK1MEN1KMT2AALDH1A1TSHR

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 4491/4885MEN1 184/4885KMT2A 3271/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 RIPK1 4491/4885MEN1 184/4885KMT2A 3271/4885

“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.