SCHEMBL4520831

SCHEMBL4520831

O=C(O)N1C[C@H]2CCCC(=O)N2[C@H](c2cc(F)c(F)c(F)c2)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
P2RX7 Q99572 1/20 0.31
KMT2A Q03164 1/20 0.30
POLB P06746 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
SCHEMBL4514287 1.00 HTT (0.33) HTTP2RX7KMT2APOLB
SCHEMBL4514289 1.00 HTT (0.33) HTTP2RX7KMT2APOLB
SCHEMBL2587650 0.86 P2RX7 (0.36) P2RX7
SCHEMBL2581655 0.86 P2RX7 (0.36) P2RX7
SCHEMBL2577904 0.79 P2RX7 (0.33) HTTP2RX7KMT2A
SCHEMBL2579829 0.79 P2RX7 (0.36) HTTP2RX7KMT2A
SCHEMBL5126234 0.79 P2RX7 (0.36) HTTP2RX7KMT2A
SCHEMBL3623316 0.79 P2RX7 (0.36) HTTP2RX7KMT2A
SCHEMBL3627713 0.79 P2RX7 (0.36) HTTP2RX7KMT2A
SCHEMBL4513488 0.77 P2RX7 (0.32) HTTP2RX7

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 HTT 544/4885P2RX7 1836/4885KMT2A 3271/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 HTT 544/4885P2RX7 1836/4885KMT2A 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.