SCHEMBL2587508

SCHEMBL2587508

CCOC(=O)[C@H]1CC[C@@H](c2cc(F)cc(F)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.38
DPP4 P27487 1/20 0.38
TYMS P04818 1/20 0.37
CHRM1 P11229 3/20 0.36
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 6/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
ABCB1 P08183 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1D1 P20393 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
SCHEMBL20835401 0.93 TYMS (0.35) FFAR2DPP4TYMSALDH1A1GPR119
SCHEMBL4437705 0.90 DPP4 (0.39) DPP4TYMSCHRM1RIPK1ALDH1A1
SCHEMBL2351664 0.90 DPP4 (0.39) DPP4TYMSCHRM1RIPK1ALDH1A1
SCHEMBL2584143 0.89 RIPK1 (0.46) TYMSRIPK1ALDH1A1TDP1GPR119
SCHEMBL4441921 0.89 TYMS (0.41) FFAR2TYMSALDH1A1TDP1GPR119
SCHEMBL3589461 0.89 TYMS (0.41) FFAR2TYMSALDH1A1TDP1GPR119
SCHEMBL2351853 0.89 TYMS (0.41) FFAR2TYMSALDH1A1TDP1GPR119
SCHEMBL933796 0.88 NTRK1 (0.39) TYMS
SCHEMBL933795 0.88 NTRK1 (0.39) TYMS
SCHEMBL19547488 0.88 NTRK1 (0.39) TYMS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US 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 3021/4885DPP4 4773/4885TYMS 1902/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 FFAR2 3021/4885DPP4 4773/4885TYMS 1902/4885

“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.