SCHEMBL4514302

SCHEMBL4514302

C=CCC(=O)N1[C@@H](C=CC(=O)O)CC[C@H]1c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.37
CALCRL Q16602 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
PDE5A O76074 1/20 0.33
DRD4 P21917 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
NPC1 O15118 1/20 0.32
OPRK1 P41145 3/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TNKS O95271 1/20 0.32

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
SCHEMBL4514297 1.00 RIPK1 (0.37) RIPK1CALCRLHCAR2PDE5ADRD4
SCHEMBL4511999 0.89 FFAR2 (0.33) RIPK1
SCHEMBL4511992 0.89 FFAR2 (0.33) RIPK1
SCHEMBL2585816 0.88 RIPK1 (0.37) RIPK1CALCRLDRD4OPRK1ALDH1A1
SCHEMBL4502251 0.87 FFAR2 (0.38) RIPK1HCAR2PDE5AADAMTS5
SCHEMBL4502256 0.87 FFAR2 (0.38) RIPK1HCAR2PDE5AADAMTS5
SCHEMBL4087759 0.86 FFAR2 (0.37) RIPK1
SCHEMBL4087764 0.86 FFAR2 (0.37) RIPK1
SCHEMBL4510749 0.85 MEN1 (0.36) SLC6A2SLC6A3ALDH1A1
SCHEMBL4510755 0.85 MEN1 (0.36) SLC6A2SLC6A3ALDH1A1

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 4491/4885CALCRL 382/4885HCAR2 1504/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 RIPK1 4491/4885CALCRL 382/4885HCAR2 1504/4885

“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.