SCHEMBL4895620

SCHEMBL4895620

CN1C(=O)C(NC(=O)C[C@@H](Cc2ccccc2F)N(C(=O)O)C(C)(C)C)Cc2ncccc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.44
RIPK1 Q13546 9/20 0.39
CCKAR P32238 2/20 0.35
CCKBR P32239 2/20 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
SCHEMBL4896133 0.88 SCN9A (0.39) SCN9ARIPK1
SCHEMBL4887238 0.88 SCN9A (0.36) SCN9ARIPK1
SCHEMBL4890017 0.87 SCN9A (0.38) SCN9ARIPK1CCKARCCKBR
SCHEMBL4891101 0.85 ALDH1A1 (0.38) SCN9ACCKARCCKBR
SCHEMBL4896795 0.85 SCN9A (0.37) SCN9ARIPK1
SCHEMBL4892448 0.85 SCN9A (0.38) SCN9A
SCHEMBL4899283 0.84 SCN9A (0.38) SCN9ARIPK1CCKARCCKBR
SCHEMBL8274226 0.83 SCN9A (0.45) SCN9ARIPK1
SCHEMBL4887286 0.83 RIPK1 (0.37) SCN9ARIPK1CCKARCCKBR
Hydrochloric Acid SCHEMBL4893295 0.83 SCN9A (0.44) SCN9ARIPK1

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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 SCN9A 718/4885RIPK1 3999/4885CCKAR 240/4885

“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.