SCHEMBL4082870

SCHEMBL4082870

C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](N)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
DPP4 P27487 2/20 0.32
EGFR P00533 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
KCNH3 Q9ULD8 3/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
MITF O75030 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATP1A1 P05023 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
SCHEMBL4327611 0.85 TACR1 (0.34) TACR1IDO1TDO2DPP4LMNA
SCHEMBL3627770 0.83 TACR1 (0.35) TACR1
SCHEMBL2473578 0.80 ALDH1A1 (0.40) DPP4ALDH1A1LMNAHTTKDM4E
SCHEMBL7503724 0.76 ALDH1A1 (0.38) DPP4ALDH1A1LMNAHTTKDM4E
SCHEMBL19513655 0.76 CYP3A4 (0.33) ALDH1A1HTTSMN1; SMN2
SCHEMBL4332423 0.76 SCN4A (0.39) TACR1IDO1TDO2HTTSMN1; SMN2
SCHEMBL13059066 0.76 SCN4A (0.39) TACR1IDO1TDO2HTTSMN1; SMN2
SCHEMBL12920953 0.75 CYP3A4 (0.38) TACR1IDO1TDO2KMT2AHTT
Ammonia Solution, Strong SCHEMBL4099540 0.74 TRPA1 (0.37)
SCHEMBL21964218 0.74 ALOX5 (0.38) ALDH1A1KMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP 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 TACR1 453/4885IDO1 2536/4885TDO2 3741/4885
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 TACR1 255/4885IDO1 3561/4885TDO2 4496/4885

“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.