SCHEMBL2581131

SCHEMBL2581131

CC(C)(C)OC(=O)N[C@](C)(CCCC(=O)c1ccc(F)c(F)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
PDE4D Q08499 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
TRPA1 O75762 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL2575501 0.93 CHRNA1 (0.38) DRD2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4330484 0.88 AAK1 (0.34) PDE4DPDE4APDE4BPDE4CTRPA1
SCHEMBL2585113 0.85 ALDH1A1 (0.45) DRD2ALDH1A1MAPTHPGDMEN1
SCHEMBL22039571 0.82 AAK1 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2581151 0.81 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL23878364 0.80 LMNA (0.46) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL4510911 0.79 PPARA (0.45) TRPA1ALDH1A1CTSSCTSKPPARG
SCHEMBL4510905 0.79 PPARA (0.45) TRPA1ALDH1A1CTSSCTSKPPARG
SCHEMBL4092905 0.76 PPARA (0.49) TRPA1ALDH1A1MAPTCTSSCTSK
SCHEMBL4092912 0.76 PPARA (0.49) TRPA1ALDH1A1MAPTCTSSCTSK

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 DRD2 767/4885CHRNA1 447/4885CHRNG 3159/4885

“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.