SCHEMBL4887286

SCHEMBL4887286

CC(C)(C)N(C(=O)O)[C@@H](CC(=O)NC1Cc2ncccc2NC1=O)Cc1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.37
SCN9A Q15858 4/20 0.36
CCKBR P32239 6/20 0.34
CCKAR P32238 5/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
DPP4 P27487 2/20 0.32
KCNA5 P22460 1/20 0.32
PDE2A O00408 1/20 0.32
DPP8 Q6V1X1 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
SCHEMBL4897316 0.88 PYGL (0.39) RIPK1SCN9ACCKBRCCKARDPP4
SCHEMBL4897302 0.87 RIPK1 (0.34) RIPK1SCN9ASCN10ADPP4DPP8
SCHEMBL4894329 0.85 SCN9A (0.35) RIPK1SCN9ACCKBRCCKARDPP4
SCHEMBL4895620 0.83 SCN9A (0.44) RIPK1SCN9ACCKBRCCKAR
SCHEMBL4897701 0.83 SCN9A (0.39) RIPK1SCN9ACCKBRDPP4
SCHEMBL4891499 0.82 DPP4 (0.47) RIPK1DPP4DPP8
SCHEMBL8273798 0.81 SCN9A (0.48) SCN9ACCKBRCCKARSCN10A
SCHEMBL4893208 0.81 CCKBR (0.36) SCN9ACCKBRCCKARDPP4
SCHEMBL4896133 0.80 SCN9A (0.39) RIPK1SCN9A
SCHEMBL4890017 0.79 SCN9A (0.38) RIPK1SCN9ACCKBRCCKAR

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 RIPK1 3999/4885SCN9A 718/4885CCKBR 460/4885

“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.