SCHEMBL4894329

SCHEMBL4894329

Cc1cccc2c1CC(NC(=O)C[C@@H](Cc1ccccc1F)N(C(=O)O)C(C)(C)C)C(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.35
CCKBR P32239 7/20 0.33
CCKAR P32238 6/20 0.33
RIPK1 Q13546 2/20 0.33
DPP4 P27487 2/20 0.32
CTSL P07711 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
CTSS P25774 1/20 0.31
RAB9A P51151 1/20 0.31

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) SCN9ACCKBRCCKARRIPK1DPP4
SCHEMBL4887286 0.85 RIPK1 (0.37) SCN9ACCKBRCCKARRIPK1DPP4
SCHEMBL4897701 0.84 SCN9A (0.39) SCN9ACCKBRRIPK1DPP4
SCHEMBL8274773 0.83 DPP4 (0.45) DPP4
SCHEMBL4897558 0.83 SCN9A (0.35) SCN9ACCKBRDPP4
Hydrochloric Acid SCHEMBL4913099 0.82 DPP4 (0.44) DPP4
Hydrochloric Acid SCHEMBL4918737 0.82 DPP4 (0.44) DPP4
SCHEMBL14280844 0.82 RIPK1 (0.39) SCN9ACCKBRCCKARRIPK1DPP4
SCHEMBL4893208 0.81 CCKBR (0.36) SCN9ACCKBRCCKARDPP4RAB9A
SCHEMBL8274784 0.81 SCN9A (0.46) SCN9ACCKBRCCKARCTSS

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 718/4885CCKBR 460/4885CCKAR 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.