SCHEMBL4892448

SCHEMBL4892448

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.34
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
PDE2A O00408 3/20 0.33
P2RY1 P47900 1/20 0.33
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE3A Q14432 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 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
SCHEMBL4890017 0.92 SCN9A (0.38) SCN9A
SCHEMBL4896133 0.92 SCN9A (0.39) SCN9A
SCHEMBL4896795 0.89 SCN9A (0.37) SCN9A
SCHEMBL4891101 0.88 ALDH1A1 (0.38) SCN9A
SCHEMBL4887238 0.86 SCN9A (0.36) SCN9A
Hydrochloric Acid SCHEMBL4886914 0.86 DPP4 (0.40) SCN9AHCRTR1HCRTR2
SCHEMBL4889229 0.85 SCN9A (0.35) SCN9A
SCHEMBL4895620 0.85 SCN9A (0.44) SCN9A
Hydrochloric Acid SCHEMBL4886002 0.78 DPP4 (0.41) SCN9A
Hydrochloric Acid SCHEMBL4886180 0.78 DPP4 (0.41) 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 718/4885PTGDR2 2658/4885HCRTR1 2592/4885

“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.