SCHEMBL4512180

SCHEMBL4512180

C=CCC(=O)N1[C@@H](C(=O)O)CCC[C@H]1c1cc(F)c(F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.33
ACE P12821 1/20 0.33
RIPK1 Q13546 2/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4509292 0.89 FFAR2 (0.43) FFAR2ACEKMT2APKM
SCHEMBL2578264 0.86 OPRK1 (0.36) RIPK1ALDH1A1PKM
SCHEMBL2581098 0.84 MEN1 (0.33) RIPK1KMT2APKMMEN1
SCHEMBL4092908 0.84 FFAR2 (0.42) FFAR2ACEKMT2A
SCHEMBL4508840 0.83 RIPK1 (0.30) RIPK1
SCHEMBL4508846 0.83 RIPK1 (0.30) RIPK1
SCHEMBL4521159 0.83 RIPK1 (0.30) RIPK1
SCHEMBL2581025 0.81 RIPK1 (0.31) RIPK1PKM
SCHEMBL2584841 0.81 RIPK1 (0.31) RIPK1PKM
SCHEMBL2581029 0.81 RIPK1 (0.31) RIPK1PKM

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 FFAR2 3021/4885ACE 738/4885RIPK1 4491/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 FFAR2 3021/4885ACE 738/4885RIPK1 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.