SCHEMBL4897302

SCHEMBL4897302

CC(C)(C)N(C(=O)O)[C@@H](CC(=O)NC1Cc2cccnc2NC1=O)Cc1ccccc1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.34
SCN9A Q15858 8/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 1/20 0.32
CALCRL Q16602 2/20 0.31
CALCB P10092 1/20 0.31
ADM2 Q7Z4H4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 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
SCHEMBL4889506 0.88 RIPK1 (0.33) RIPK1SCN9AADM2KDM4ELMNA
SCHEMBL4897316 0.88 PYGL (0.39) RIPK1SCN9ADPP4
SCHEMBL4887286 0.87 RIPK1 (0.37) RIPK1SCN9ASCN10ADPP4DPP8
SCHEMBL4897701 0.83 SCN9A (0.39) RIPK1SCN9ADPP4
SCHEMBL8273807 0.82 DPP4 (0.47) DPP4DPP8
SCHEMBL4886883 0.82 DPP4 (0.47) DPP4DPP8
SCHEMBL4886888 0.82 DPP4 (0.47) DPP4DPP8
SCHEMBL8273808 0.82 DPP4 (0.47) DPP4DPP8
SCHEMBL4886899 0.82 DPP4 (0.47) DPP4DPP8
Hydrochloric Acid SCHEMBL4889778 0.81 DPP4 (0.47) DPP4DPP8

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 718/4885SCN10A 299/4885

“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.