SCHEMBL2584768

SCHEMBL2584768

O=C1CCC[C@H]2COC[C@@H](c3cc(F)c(F)c(F)c3)N12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
P2RX7 Q99572 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
SCHEMBL4513902 1.00 RIPK1 (0.31) RIPK1MEN1ALDH1A1TSHRKMT2A
SCHEMBL3403084 1.00 RIPK1 (0.31) RIPK1MEN1ALDH1A1TSHRKMT2A
SCHEMBL3405196 1.00 RIPK1 (0.31) RIPK1MEN1ALDH1A1TSHRKMT2A
SCHEMBL2586430 0.87 RIPK1 (0.34) RIPK1MEN1ALDH1A1TSHRKMT2A
SCHEMBL3627713 0.83 P2RX7 (0.36) MEN1ALDH1A1TSHRKMT2AP2RX7
SCHEMBL2577904 0.83 P2RX7 (0.33) MEN1ALDH1A1TSHRKMT2AP2RX7
SCHEMBL5126234 0.83 P2RX7 (0.36) MEN1ALDH1A1TSHRKMT2AP2RX7
SCHEMBL2579829 0.83 P2RX7 (0.36) MEN1ALDH1A1TSHRKMT2AP2RX7
SCHEMBL3623316 0.83 P2RX7 (0.36) MEN1ALDH1A1TSHRKMT2AP2RX7
SCHEMBL8136568 0.82 TSHR (0.44) RIPK1MEN1ALDH1A1TSHRKMT2A

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 15 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 claimed
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 claimed
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-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
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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US 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
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
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 (4 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 RIPK1 3854/4885MEN1 1593/4885ALDH1A1 277/4885
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 RIPK1 4491/4885MEN1 184/4885ALDH1A1 869/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 RIPK1 2821/4885MEN1 597/4885ALDH1A1 674/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 RIPK1 4491/4885MEN1 184/4885ALDH1A1 869/4885

“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.