SCHEMBL3626801

SCHEMBL3626801

CC(O)CN[C@H](c1cc(F)c(F)c(F)c1)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3626795 1.00 PDPK1 (0.32) PDPK1KMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL4088420 0.87 PTGS1 (0.31) KMT2AMEN1
SCHEMBL4089272 0.86 TRPM8 (0.32) PDPK1KMT2AMEN1SMN1; SMN2
SCHEMBL4089068 0.82 LMNA (0.35) KMT2AMEN1SMN1; SMN2
SCHEMBL3627226 0.78 S1PR3 (0.38)
SCHEMBL3627770 0.76 TACR1 (0.35)
SCHEMBL30425003 0.69 TRPA1 (0.36) SMN1; SMN2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4327611 0.68 TACR1 (0.34) PDPK1KMT2AMEN1
SCHEMBL18063396 0.68 TRPA1 (0.35) SMN1; SMN2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL17491817 0.67 ALDH1A1 (0.38) KMT2AMEN1SLC6A2SLC6A4SLC6A3

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-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
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP 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 PDPK1 3345/4885KMT2A 2733/4885MEN1 235/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 PDPK1 1153/4885KMT2A 2484/4885MEN1 597/4885

“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.