SCHEMBL12376317

SCHEMBL12376317

CN1C(=O)C(NC(=O)OC(C)(C)C)CCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.69
NPY1R P25929 1/20 0.52
RIPK1 Q13546 3/20 0.52
PYGL P06737 1/20 0.51
PYGM P11217 1/20 0.51
CCKBR P32239 1/20 0.51

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
SCHEMBL5638220 1.00 SCN9A (0.69) SCN9ANPY1RRIPK1PYGLPYGM
SCHEMBL12376364 1.00 SCN9A (0.69) SCN9ANPY1RRIPK1PYGLPYGM
SCHEMBL17321249 0.91 SCN9A (0.59) SCN9ANPY1RRIPK1PYGLPYGM
SCHEMBL7423602 0.89 SCN9A (0.56) SCN9APYGLPYGM
SCHEMBL4799468 0.89 SCN9A (0.56) SCN9APYGLPYGM
SCHEMBL4799483 0.89 SCN9A (0.56) SCN9APYGLPYGM
SCHEMBL23075140 0.84 SCN9A (0.52) SCN9ANPY1RRIPK1PYGLPYGM
SCHEMBL18419855 0.84 SCN9A (0.55) SCN9ANPY1RRIPK1
SCHEMBL15964614 0.84 SCN9A (0.52) SCN9ANPY1RRIPK1PYGLPYGM
SCHEMBL7486160 0.83 CCKBR (0.72) SCN9ANPY1RCCKBR

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-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 SCN9A 3897/4885NPY1R 525/4885RIPK1 387/4885
US-20090099152-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME GABRA5, GABRA2, GABRA3 SCN9A 709/4885NPY1R 1000/4885RIPK1 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.