SCHEMBL4232147

SCHEMBL4232147

O=C(O)N[C@H]1CCc2ccccc2NC1=O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.66
PYGM P11217 5/20 0.66
RIPK1 Q13546 14/20 0.60
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52

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
SCHEMBL1976547 1.00 PYGL (0.66) PYGLPYGMRIPK1DDB1CRBN
SCHEMBL4216634 1.00 PYGL (0.66) PYGLPYGMRIPK1DDB1CRBN
SCHEMBL22469203 0.92 PYGL (0.57) PYGLPYGMRIPK1DDB1CRBN
Benzylacetone SCHEMBL1980507 0.86 RIPK1 (0.56) PYGLPYGMRIPK1
SCHEMBL25329367 0.85 PYGL (0.64) PYGLPYGMRIPK1
SCHEMBL29900499 0.85 PYGL (0.64) PYGLPYGMRIPK1
SCHEMBL15541576 0.85 PYGL (0.64) PYGLPYGMRIPK1
SCHEMBL19207650 0.84 PYGL (0.49) PYGLPYGMRIPK1
SCHEMBL3989268 0.84 PYGL (0.53) PYGLPYGMRIPK1DDB1CRBN
SCHEMBL3914513 0.84 PYGL (0.53) PYGLPYGMRIPK1DDB1CRBN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PYGL 3145/4885PYGM 4492/4885RIPK1 4813/4885

“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.