SCHEMBL4514259

SCHEMBL4514259

COC(=O)C=C[C@H]1CC[C@@H](c2cccc(F)c2)N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.41
KMT2A Q03164 1/20 0.38
OPRK1 P41145 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 2/20 0.37
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37
LMNA P02545 1/20 0.37
PDE5A O76074 1/20 0.36
FFAR2 O15552 2/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL4514257 1.00 RIPK1 (0.41) RIPK1KMT2AOPRK1MAOAMAOB
SCHEMBL4505434 0.89 FFAR2 (0.40) RIPK1FFAR2
SCHEMBL4505431 0.89 FFAR2 (0.40) RIPK1FFAR2
SCHEMBL4520271 0.87 FFAR2 (0.45) RIPK1MAOAMAOBALDH1A1PDE5A
SCHEMBL4520273 0.87 FFAR2 (0.45) RIPK1MAOAMAOBALDH1A1PDE5A
SCHEMBL2588804 0.86 RIPK1 (0.44) RIPK1KMT2AOPRK1MAOAMAOB
SCHEMBL2585816 0.86 RIPK1 (0.37) RIPK1KMT2AOPRK1ALDH1A1JAK2
SCHEMBL4087600 0.85 FFAR2 (0.44) FFAR2
SCHEMBL4501814 0.85 FFAR2 (0.44) FFAR2
SCHEMBL4087604 0.85 FFAR2 (0.44) FFAR2

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 RIPK1 4491/4885KMT2A 3271/4885OPRK1 2385/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 RIPK1 4491/4885KMT2A 3271/4885OPRK1 2385/4885

“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.