SCHEMBL2585801

SCHEMBL2585801

COC(=O)[C@H]1CCC[C@@H](c2ccc(F)c(F)c2)N1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
ITGA5 P08648 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
KCNH2 Q12809 5/20 0.41
SCN3A Q9NY46 3/20 0.41
GRIA4 P48058 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38

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
SCHEMBL28789031 0.92 KCNH2 (0.46) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL2036281 0.92 KCNH2 (0.46) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL2036282 0.92 KCNH2 (0.46) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL31047117 0.92 KCNH2 (0.46) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL2345543 0.86 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4CHRNA1CHRNG
SCHEMBL27771931 0.85 KCNH2 (0.51) SLC6A3SLC6A2SLC6A4KCNH2SCN3A
SCHEMBL4497524 0.83 KCNH2 (0.41) KCNH2SCN3AGRIA4TAS1R3TAS1R1
SCHEMBL2584119 0.82 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4
SCHEMBL5516148 0.79 TSHR (0.46) SLC6A3SLC6A2SLC6A4KCNH2SCN3A
SCHEMBL2348802 0.78 ALDH1A1 (0.46) KCNH2SCN3A

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 3 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-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 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 (1 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 1834/4885SLC6A2 1304/4885SLC6A4 1800/4885

“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.