SCHEMBL4897316

SCHEMBL4897316

CC(C)(C)N(C(=O)O)[C@@H](CC(=O)NC1Cc2ccccc2NC1=O)Cc1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGL P06737 6/20 0.39
PYGM P11217 4/20 0.39
SCN9A Q15858 5/20 0.37
CCKBR P32239 4/20 0.35
CCKAR P32238 3/20 0.34
DPP4 P27487 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL4897701 0.92 SCN9A (0.39) PYGLPYGMSCN9ACCKBRDPP4
SCHEMBL4893208 0.89 CCKBR (0.36) SCN9ACCKBRCCKARDPP4
SCHEMBL4894329 0.88 SCN9A (0.35) SCN9ACCKBRCCKARDPP4RIPK1
SCHEMBL4887286 0.88 RIPK1 (0.37) SCN9ACCKBRCCKARDPP4RIPK1
SCHEMBL4897302 0.88 RIPK1 (0.34) SCN9ADPP4RIPK1
SCHEMBL4891179 0.81 DPP4 (0.47) PYGLPYGMDPP4
SCHEMBL8274738 0.79 SCN9A (0.49) PYGLPYGMSCN9ACCKBRCCKAR
SCHEMBL4897558 0.79 SCN9A (0.35) SCN9ACCKBRDPP4
SCHEMBL4889506 0.75 RIPK1 (0.33) SCN9ARIPK1
SCHEMBL4895620 0.74 SCN9A (0.44) SCN9ACCKBRCCKARRIPK1

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 PYGL 1009/4885PYGM 1772/4885SCN9A 718/4885

“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.