SCHEMBL2346176

SCHEMBL2346176

CCOC(=O)[C@H]1CC[C@@H](c2ccc(Cl)cc2)N1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ABCC1 P33527 1/20 0.47
ALDH1A1 P00352 5/20 0.44
POLB P06746 1/20 0.44
CACNA1D Q01668 1/20 0.43
SCN9A Q15858 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
KCNH2 Q12809 1/20 0.42
SCN3A Q9NY46 1/20 0.42

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
SCHEMBL4637528 0.86 KCNH2 (0.56) MEN1KMT2AALDH1A1SCN9AKCNH2
SCHEMBL3585037 0.86 KCNH2 (0.56) MEN1KMT2AALDH1A1SCN9AKCNH2
SCHEMBL4637526 0.86 KCNH2 (0.56) MEN1KMT2AALDH1A1SCN9AKCNH2
SCHEMBL2350627 0.86 KCNH2 (0.56) MEN1KMT2AALDH1A1SCN9AKCNH2
SCHEMBL3585032 0.86 KCNH2 (0.56) MEN1KMT2AALDH1A1SCN9AKCNH2
SCHEMBL3600447 0.86 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL3600450 0.86 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL28521573 0.86 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL15832346 0.85 TSHR (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL28527166 0.85 L3MBTL1 (0.49) MEN1KMT2AALDH1A1POLBSCN9A

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 MEN1 1788/4885KMT2A 4441/4885ABCC1 1143/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 MEN1 1670/4885KMT2A 2870/4885ABCC1 890/4885

“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.