SCHEMBL2584119

SCHEMBL2584119

COC(=O)[C@H]1CCC[C@@H](c2ccc(Cl)cc2)N1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.48
SLC6A4 P31645 7/20 0.48
SLC6A2 P23975 5/20 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
SCHEMBL2041148 0.91 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2
SCHEMBL31134235 0.91 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2
SCHEMBL31134232 0.91 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2
SCHEMBL2041146 0.91 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2
SCHEMBL2043609 0.91 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2
SCHEMBL27771931 0.86 KCNH2 (0.51) SLC6A3SLC6A4SLC6A2
SCHEMBL5516148 0.85 TSHR (0.46) SLC6A3SLC6A4SLC6A2
SCHEMBL14763450 0.83 SLC6A3 (0.44) SLC6A3SLC6A4
SCHEMBL2585801 0.82 SLC6A3 (0.41) SLC6A3SLC6A4SLC6A2
SCHEMBL4333611 0.82 KCNH2 (0.40)

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
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 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-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 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-20070117798-A1 Morpholine type 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 (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-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 SLC6A3 1834/4885SLC6A4 1800/4885SLC6A2 1304/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 SLC6A3 4495/4885SLC6A4 4434/4885SLC6A2 3967/4885

“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.