SCHEMBL3623316

SCHEMBL3623316

O=C1CCCC2CCCC(c3cc(F)c(F)c(F)c3)N12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.36
MGLL Q99685 11/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5126234 1.00 P2RX7 (0.36) P2RX7MGLLMEN1ALDH1A1TSHR
SCHEMBL2579829 1.00 P2RX7 (0.36) P2RX7MGLLMEN1ALDH1A1TSHR
SCHEMBL3627713 1.00 P2RX7 (0.36) P2RX7MGLLMEN1ALDH1A1TSHR
SCHEMBL2577904 0.94 P2RX7 (0.33) P2RX7MGLLMEN1ALDH1A1TSHR
SCHEMBL3623230 0.87 MAPK1 (0.33) P2RX7
SCHEMBL3623728 0.87 MAPK1 (0.33) P2RX7
SCHEMBL2583972 0.85 P2RX7 (0.39) P2RX7MEN1ALDH1A1TSHRKMT2A
SCHEMBL4521180 0.85 P2RX7 (0.39) P2RX7MEN1ALDH1A1TSHRKMT2A
SCHEMBL4521177 0.85 P2RX7 (0.39) P2RX7MEN1ALDH1A1TSHRKMT2A
SCHEMBL4513488 0.83 P2RX7 (0.32) P2RX7HTT

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 7 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-7737141-B2 such as -{4-{1-[(S)-1-(4-fluorophenyl)ethyl]-2-oxopiperidin-(3E)-ylidenemethyl}-2-methoxyphenyl}-5-methyl-1-(phosphonooxymethyl)-3H-imidazol-1-ium trifluoroacetate, which inhibit the synthesis of amyloid precursor proteins; treatment of Alzheimer's disease, Down syndrome or amyloidosis EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-15 US disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-2048143-A1 PRODRUG OF CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-20090048213-A1 Prodrug of cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2009-02-19 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 (3 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 1836/4885MGLL 4322/4885MEN1 184/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 P2RX7 740/4885MGLL 1859/4885MEN1 597/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 P2RX7 1836/4885MGLL 4322/4885MEN1 184/4885

“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.