SCHEMBL2345307

SCHEMBL2345307

C[C@@H](OCc1ccccc1)[C@H]1COC[C@@H](c2ccc(Cl)cc2)N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
GPBAR1 Q8TDU6 6/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KCNA5 P22460 1/20 0.34
CCR1 P32246 1/20 0.34
CACNA1G O43497 2/20 0.33
OGA O60502 1/20 0.33

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
SCHEMBL27770651 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3GPBAR1MEN1
SCHEMBL27791726 0.77 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL27791725 0.77 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2344424 0.74 CHRNA7 (0.32) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3618110 0.74 CHRNA7 (0.32) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2350556 0.69 CTSD (0.38) SLC6A2SLC6A4SLC6A3GPBAR1OGA
SCHEMBL2350562 0.69 CTSD (0.38) SLC6A2SLC6A4SLC6A3GPBAR1OGA
SCHEMBL11961363 0.66 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3OGA
SCHEMBL8588353 0.66 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3OGA
SCHEMBL11961364 0.66 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3OGA

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 7 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-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-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
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 SLC6A2 636/4885SLC6A4 858/4885SLC6A3 295/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 SLC6A2 192/4885SLC6A4 378/4885SLC6A3 120/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 SLC6A2 3967/4885SLC6A4 4434/4885SLC6A3 4495/4885

“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.