SCHEMBL2345486

SCHEMBL2345486

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
HTR7 P34969 1/20 0.42
PPARD Q03181 2/20 0.41
CXCR3 P49682 1/20 0.41

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
SCHEMBL2345494 1.00 ALDH1A1 (0.59) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL23878363 0.91 ALDH1A1 (0.47) ALDH1A1MAPTHTTCTSSCTSK
SCHEMBL22039756 0.91 ALDH1A1 (0.47) ALDH1A1MAPTHTTCTSSCTSK
SCHEMBL2585420 0.88 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2343150 0.88 ALDH1A1 (0.74) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2343147 0.88 ALDH1A1 (0.74) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28286842 0.88 ALDH1A1 (0.58) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28286840 0.88 ALDH1A1 (0.58) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2348575 0.88 MAPT (0.56) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2348573 0.88 MAPT (0.56) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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 6 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-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
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 (2 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 3723/4885CYP1A2 633/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 ALDH1A1 1360/4885MAPT 2063/4885CYP1A2 237/4885

“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.