SCHEMBL4521177

SCHEMBL4521177

O=C1CCCC2CCCC(c3ccc(F)c(F)c3)N12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.39
PGR P06401 2/20 0.38
RIPK1 Q13546 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRIA4 P48058 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL2583972 1.00 P2RX7 (0.39) P2RX7PGRRIPK1MEN1KMT2A
SCHEMBL4521180 1.00 P2RX7 (0.39) P2RX7PGRRIPK1MEN1KMT2A
SCHEMBL4088718 0.94 P2RX7 (0.38) P2RX7PGRRIPK1MEN1KMT2A
SCHEMBL2581567 0.94 P2RX7 (0.41) P2RX7PGRRIPK1MEN1KMT2A
SCHEMBL2587657 0.90 ALDH1A1 (0.39) P2RX7PGRRIPK1MEN1KMT2A
SCHEMBL2581234 0.90 ALDH1A1 (0.39) P2RX7PGRRIPK1MEN1KMT2A
SCHEMBL4513877 0.88 L3MBTL1 (0.34) P2RX7PGRRIPK1MEN1KMT2A
SCHEMBL3627713 0.85 P2RX7 (0.36) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL2579829 0.85 P2RX7 (0.36) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL3623316 0.85 P2RX7 (0.36) P2RX7MEN1KMT2AALDH1A1TSHR

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 4 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-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 1836/4885PGR 1646/4885RIPK1 4491/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 P2RX7 1836/4885PGR 1646/4885RIPK1 4491/4885

“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.