SCHEMBL4323680

SCHEMBL4323680

CC(O)CNCc1ccc(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
AMY1A P0DUB6 1/20 0.42
PDCD1LG2 Q9BQ51 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.36
TRPV3 Q8NET8 1/20 0.36

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
SCHEMBL4331911 1.00 P2RX7 (0.43) P2RX7ALDH1A1CYP1A2CYP2D6AMY1A
SCHEMBL4323675 1.00 P2RX7 (0.43) P2RX7ALDH1A1CYP1A2CYP2D6AMY1A
SCHEMBL4324992 0.74 PDCD1LG2 (0.46) ALDH1A1CYP1A2CYP2D6PDCD1LG2CD274
SCHEMBL4330343 0.73 CYP1A2 (0.47) ALDH1A1CYP1A2CYP2D6AMY1AKMT2A
SCHEMBL4332509 0.73 CYP1A2 (0.47) ALDH1A1CYP1A2CYP2D6AMY1AKMT2A
SCHEMBL4330351 0.73 CYP1A2 (0.47) ALDH1A1CYP1A2CYP2D6AMY1AKMT2A
SCHEMBL22345799 0.70 TRPV3 (0.49) ALDH1A1CYP1A2CYP2D6AMY1APDCD1LG2
SCHEMBL22345802 0.70 TRPV3 (0.49) ALDH1A1CYP1A2CYP2D6AMY1APDCD1LG2
SCHEMBL30850022 0.70 TRPV3 (0.49) ALDH1A1CYP1A2CYP2D6AMY1APDCD1LG2
SCHEMBL26618708 0.70 TRPV3 (0.49) ALDH1A1CYP1A2CYP2D6AMY1APDCD1LG2

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
CN-101312965-B Morpholine type cinnamamide compound EISAI R&D MAN CO LTD 2011-07-20 CN disclosed
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
CN-101312965-A Morpholine type cinnamamide compound EISAI R&D MAN CO LTD (JP) 2008-11-26 CN 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 (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 P2RX7 397/4885ALDH1A1 785/4885CYP1A2 40/4885

“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.