SCHEMBL2346142

SCHEMBL2346142

CCOC(=O)[C@H]1CC[C@@H](c2ccc(F)c(F)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
DPP4 P27487 1/20 0.41
FFAR2 O15552 1/20 0.41
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
TYMS P04818 1/20 0.38
CHRM1 P11229 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
ABCB1 P08183 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20835437 0.92 L3MBTL1 (0.41) ALDH1A1DPP4KDM4ETSHRTYMS
SCHEMBL2351664 0.90 DPP4 (0.39) ALDH1A1DPP4KDM4ETSHRTYMS
SCHEMBL4437705 0.90 DPP4 (0.39) ALDH1A1DPP4KDM4ETSHRTYMS
SCHEMBL2351853 0.89 TYMS (0.41) ALDH1A1FFAR2TYMSGPR119TDP1
SCHEMBL4441921 0.89 TYMS (0.41) ALDH1A1FFAR2TYMSGPR119TDP1
SCHEMBL3589461 0.89 TYMS (0.41) ALDH1A1FFAR2TYMSGPR119TDP1
SCHEMBL2586267 0.88 FFAR2 (0.45) ALDH1A1DPP4FFAR2GPR119ABCB1
SCHEMBL2584143 0.87 RIPK1 (0.46) ALDH1A1TYMSGPR119ABCB1TDP1
SCHEMBL2348191 0.87 MAOA (0.43) ALDH1A1FFAR2TSHRTYMSMEN1
SCHEMBL2587508 0.87 FFAR2 (0.38) ALDH1A1DPP4FFAR2KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019112024-A1 PYRROLIDINE COMPOUND キッセイ薬品工業株式会社 2019-06-13 WO disclosed
EP-2125829-B1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2013-01-16 EP 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-8008293-B2 Bicyclic oxomorpholine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-30 US disclosed
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-06 US disclosed
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP disclosed
US-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-28 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 (5 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-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES OPRM1, OPRK1, OPRD1 ALDH1A1 2062/4885DPP4 2646/4885FFAR2 1417/4885
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 ALDH1A1 869/4885DPP4 4773/4885FFAR2 3021/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 ALDH1A1 1360/4885DPP4 2057/4885FFAR2 1064/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 ALDH1A1 869/4885DPP4 4773/4885FFAR2 3021/4885
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 ALDH1A1 159/4885DPP4 839/4885FFAR2 1593/4885

“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.