SCHEMBL2348006

SCHEMBL2348006

CC(C)(C)OC(=O)N1[C@H](CO)CC[C@@H]1c1cc(F)c(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ABCB1 P08183 1/20 0.36
TRPA1 O75762 5/20 0.36
RIPK1 Q13546 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H2 P55055 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
CETP P11597 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
TRPV3 Q8NET8 1/20 0.34
PDE4B Q07343 1/20 0.33

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
SCHEMBL2348001 1.00 DPP4 (0.40) DPP4CHRM2CHRM1CHRM3ABCB1
SCHEMBL3717928 0.90 DPP4 (0.39) DPP4CHRM2CHRM1CHRM3ABCB1
SCHEMBL2351859 0.88 FFAR2 (0.43) DPP4ABCB1TRPA1MEN1KMT2A
SCHEMBL2350570 0.84 TRPA1 (0.47) ABCB1TRPA1MEN1KMT2A
SCHEMBL14563127 0.84 TRPA1 (0.47) ABCB1TRPA1MEN1KMT2A
SCHEMBL14563128 0.84 TRPA1 (0.47) ABCB1TRPA1MEN1KMT2A
SCHEMBL2583441 0.82 DPP4 (0.38) DPP4CHRM2CHRM1CHRM3ABCB1
SCHEMBL28528295 0.82 RIPK1 (0.50) ABCB1TRPA1RIPK1MEN1KMT2A
SCHEMBL5149946 0.81 ABCB1 (0.52) ABCB1RIPK1MEN1KMT2ANR1H2
SCHEMBL475729 0.81 ABCB1 (0.52) ABCB1RIPK1MEN1KMT2ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125829-B1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2013-01-16 EP disclosed
US-8008293-B2 Bicyclic oxomorpholine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-30 US disclosed
US-7737141-B2 such as -{4-{1-[(S)-1-(4-fluorophenyl)ethyl]-2-oxopiperidin-(3E)-ylidenemethyl}-2-methoxyphenyl}-5-methyl-1-(phosphonooxymethyl)-3H-imidazol-1-ium trifluoroacetate, which inhibit the synthesis of amyloid precursor proteins; treatment of Alzheimer's disease, Down syndrome or amyloidosis EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-15 US disclosed
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-06 US disclosed
EP-2048143-A1 PRODRUG OF CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-20090048213-A1 Prodrug of cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2009-02-19 US disclosed
US-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-28 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 (3 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 DPP4 2646/4885CHRM2 171/4885CHRM1 98/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 DPP4 2057/4885CHRM2 30/4885CHRM1 15/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 DPP4 1825/4885CHRM2 3067/4885CHRM1 2071/4885

“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.