SCHEMBL4330484

SCHEMBL4330484

CC(C)(C)OC(=O)N[C@](C)(CCCC(=O)c1cc(F)c(F)c(F)c1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.34
NAALAD2 Q9Y3Q0 1/20 0.33
CTSS P25774 4/20 0.32
TRPA1 O75762 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRB2 P47870 1/20 0.32
CTSK P43235 3/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PDE4D Q08499 2/20 0.32
ACE P12821 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PTPN1 P18031 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL2581131 0.88 DRD2 (0.37) AAK1CTSSTRPA1GABRB1GABRB2
SCHEMBL2575501 0.81 CHRNA1 (0.38) AAK1NAALAD2CTSSTRPA1GABRB1
SCHEMBL2584672 0.80 AAK1 (0.34) AAK1CTSSTRPA1CTSKTHRA
SCHEMBL2585113 0.80 ALDH1A1 (0.45)
SCHEMBL4707727 0.78 ACE (0.44) CTSSCTSKACEPTPN1
SCHEMBL4707730 0.78 ACE (0.44) CTSSCTSKACEPTPN1
SCHEMBL2705787 0.78 TDP1 (0.49)
SCHEMBL23878364 0.77 LMNA (0.46) NAALAD2CTSSCTSKPTPN1
SCHEMBL4325043 0.75 MEN1 (0.31) AAK1NAALAD2CTSSCTSK
SCHEMBL4337302 0.75 ACE (0.46) CTSSTRPA1CTSKACEPTPN1

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 2 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-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 AAK1 2644/4885NAALAD2 4664/4885CTSS 2785/4885

“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.