SCHEMBL4889229

SCHEMBL4889229

CC(C)(C)N(C(=O)O)[C@@H](CC(=O)NC1Cc2ncccc2N(Cc2ccc(-c3csnn3)cc2)C1=O)Cc1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.35
GHSR Q92847 4/20 0.34
AGTR1 P30556 1/20 0.34
PTPN1 P18031 7/20 0.34
XIAP P98170 1/20 0.32

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 0.89 SCN9A (0.39) SCN9AGHSRAGTR1XIAP
SCHEMBL4890017 0.88 SCN9A (0.38) SCN9AXIAP
SCHEMBL4896795 0.86 SCN9A (0.37) SCN9AGHSRAGTR1XIAP
Hydrochloric Acid SCHEMBL4895648 0.86 DPP4 (0.38) GHSRAGTR1
SCHEMBL4892448 0.85 SCN9A (0.38) SCN9A
SCHEMBL4887238 0.83 SCN9A (0.36) SCN9AXIAP
SCHEMBL4895620 0.82 SCN9A (0.44) SCN9A
SCHEMBL4891101 0.81 ALDH1A1 (0.38) SCN9A
SCHEMBL4894380 0.75 MEN1 (0.37) PTPN1
SCHEMBL4887286 0.74 RIPK1 (0.37) SCN9A

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 718/4885GHSR 48/4885AGTR1 56/4885

“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.