SCHEMBL2343147

SCHEMBL2343147

CCOC(=O)[C@@H](CCC(=O)c1ccc(Cl)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
MAPT P10636 4/20 0.74
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
PKM P14618 1/20 0.58
ALOX12 P18054 1/20 0.58
PPARG P37231 3/20 0.52
PPARA Q07869 3/20 0.52
HTT P42858 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
CACNA1B Q00975 1/20 0.45
P2RY2 P41231 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
P2RX3 P56373 1/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL2343150 1.00 ALDH1A1 (0.74) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL31134350 0.91 ALDH1A1 (0.61) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL2345494 0.88 ALDH1A1 (0.59) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL2345486 0.88 ALDH1A1 (0.59) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL28286840 0.88 ALDH1A1 (0.58) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL28286842 0.88 ALDH1A1 (0.58) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL28528494 0.87 ALDH1A1 (0.58) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL28528491 0.87 ALDH1A1 (0.58) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL4502065 0.87 PPARA (0.64) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL4502068 0.87 PPARA (0.64) ALDH1A1MAPTHPGDKDM4EGAA

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 10 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-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-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-2125829-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP 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
WO-2008108378-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-12 WO 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 ALDH1A1 2062/4885MAPT 3723/4885HPGD 850/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 ALDH1A1 1360/4885MAPT 2063/4885HPGD 1609/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 ALDH1A1 674/4885MAPT 4437/4885HPGD 3627/4885

“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.