SCHEMBL4891101

SCHEMBL4891101

COc1ccc(CCN2C(=O)C(NC(=O)C[C@@H](Cc3ccccc3F)N(C(=O)O)C(C)(C)C)Cc3ncccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.36
SCN9A Q15858 8/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CCKAR P32238 2/20 0.34
CCKBR P32239 2/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4887238 0.93 SCN9A (0.36) SCN9AGAA
SCHEMBL4892448 0.88 SCN9A (0.38) SCN9A
SCHEMBL4896133 0.87 SCN9A (0.39) SCN9A
SCHEMBL4890017 0.86 SCN9A (0.38) SCN9ACCKARCCKBR
Hydrochloric Acid SCHEMBL4894561 0.86 ALDH1A1 (0.39) ALDH1A1MAPTSCN9AMEN1KMT2A
SCHEMBL4895620 0.85 SCN9A (0.44) SCN9ACCKARCCKBR
SCHEMBL4896795 0.84 SCN9A (0.37) SCN9A
SCHEMBL4889229 0.81 SCN9A (0.35) SCN9A
Hydrochloric Acid SCHEMBL4896879 0.78 DPP4 (0.39)
SCHEMBL4887286 0.76 RIPK1 (0.37) SCN9ACCKARCCKBR

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 ALDH1A1 418/4885MAPT 4846/4885SCN9A 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.