SCHEMBL12376350

SCHEMBL12376350

CC(C)(C)OC(=O)N[C@H]1CCc2cc(-c3ccccc3)ccc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
RIPK1 Q13546 9/20 0.44
PYGL P06737 5/20 0.44
PYGM P11217 5/20 0.44
CRBN Q96SW2 1/20 0.42
IDO1 P14902 1/20 0.41
SCN9A Q15858 1/20 0.41
GAA P10253 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL12376337 1.00 EPHX2 (0.44) EPHX2RIPK1PYGLPYGMCRBN
SCHEMBL5640963 0.86 EPHX2 (0.56) EPHX2RIPK1PYGLPYGMGAA
SCHEMBL1269023 0.86 EPHX2 (0.56) EPHX2RIPK1PYGLPYGMGAA
SCHEMBL1269022 0.86 EPHX2 (0.56) EPHX2RIPK1PYGLPYGMGAA
SCHEMBL13783986 0.85 RIPK1 (0.46) EPHX2RIPK1PYGLPYGMGAA
SCHEMBL3914513 0.84 PYGL (0.53) RIPK1PYGLPYGMCRBN
SCHEMBL3989268 0.84 PYGL (0.53) RIPK1PYGLPYGMCRBN
SCHEMBL1270295 0.84 RIPK1 (0.58) EPHX2RIPK1PYGLPYGMGAA
SCHEMBL1270296 0.84 RIPK1 (0.58) EPHX2RIPK1PYGLPYGMGAA
SCHEMBL12376347 0.84 RIPK1 (0.52) EPHX2RIPK1PYGLPYGMGAA

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-7994162-B2 2-alkoxy-3,4,5-trihydroxy-alkylamide-benzazepines, the preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US disclosed
US-7994162-B2 2-alkoxy-3,4,5-trihydroxy-alkylamide-benzazepines, the preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US disclosed
US-20090099152-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-04-16 US disclosed
US-20090099152-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2009-04-16 US disclosed
WO-2007135293-A2 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI AVENTIS (FR) 2007-11-29 WO 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-20090099152-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME GABRA5, GABRA2, GABRA3 EPHX2 239/4885RIPK1 4813/4885PYGL 3145/4885

“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.