SCHEMBL3405050

SCHEMBL3405050

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.34
FAAH O00519 1/20 0.34
DPP4 P27487 1/20 0.33
PDE5A O76074 2/20 0.32
ABCB1 P08183 1/20 0.31
CSF1R P07333 1/20 0.31
KDR P35968 1/20 0.31
FFAR4 Q5NUL3 2/20 0.31
SCN9A Q15858 1/20 0.30
CETP P11597 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL3407576 1.00 GPR119 (0.34) GPR119FAAHDPP4PDE5AABCB1
SCHEMBL13040214 1.00 GPR119 (0.34) GPR119FAAHDPP4PDE5AABCB1
SCHEMBL13040213 0.89 GPR119 (0.34) GPR119FAAHDPP4ABCB1SCN9A
SCHEMBL8062807 0.89 GPR119 (0.34) GPR119FAAHDPP4ABCB1SCN9A
SCHEMBL8057004 0.89 GPR119 (0.34) GPR119FAAHDPP4ABCB1SCN9A
SCHEMBL3403073 0.75
SCHEMBL3717928 0.73 DPP4 (0.39) GPR119DPP4ABCB1SCN9ACETP
SCHEMBL2348006 0.72 DPP4 (0.40) GPR119DPP4ABCB1CETP
SCHEMBL2348001 0.72 DPP4 (0.40) GPR119DPP4ABCB1CETP
SCHEMBL4503122 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-04 US disclosed
US-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-04 US disclosed
US-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-04 US disclosed
EP-2226325-A1 PROCESS FOR PRODUCTION OF 4-(SUBSTITUTED PHENYL)HEXAHYDROPYRIDOÝ2,1-C¨Ý1,4¨OXAZIN-6-ONE Eisai R&D Management Co., Ltd. (JP) 2010-09-08 EP disclosed
WO-2009081959-A1 PROCESS FOR PRODUCTION OF 4-(SUBSTITUTED PHENYL)HEXAHYDROPYRIDO[2,1-C][1,4]OXAZIN-6-ONE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-02 WO 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 (1 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-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE PSEN1, APP, BACE1 GPR119 3142/4885FAAH 1577/4885DPP4 166/4885

“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.