SCHEMBL4893288

SCHEMBL4893288

N[C@@H](CC(=O)N[C@@H]1Cc2cccnc2NC1=O)Cc1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.41
DPP7 Q9UHL4 7/20 0.38
DPP8 Q6V1X1 4/20 0.36
RIPK1 Q13546 1/20 0.36
BCL2L11 O43521 4/20 0.35
BCL2 P10415 4/20 0.35
MCL1 Q07820 4/20 0.35
P2RX7 Q99572 2/20 0.35
KCNH2 Q12809 1/20 0.35
CDK2 P24941 1/20 0.34
AKT1 P31749 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
SCHEMBL4895849 0.90 P2RX7 (0.39) DPP4DPP7DPP8RIPK1BCL2L11
SCHEMBL4895858 0.90 P2RX7 (0.39) DPP4DPP7DPP8RIPK1BCL2L11
SCHEMBL4895863 0.90 P2RX7 (0.39) DPP4DPP7DPP8RIPK1BCL2L11
SCHEMBL4890703 0.88 DPP4 (0.44) DPP4DPP7DPP8
SCHEMBL4897042 0.88 DPP4 (0.44) DPP4DPP7DPP8
SCHEMBL8272695 0.87 DPP4 (0.47) DPP4DPP7DPP8P2RX7
SCHEMBL4916150 0.87 DPP4 (0.47) DPP4DPP7DPP8P2RX7
SCHEMBL4891506 0.87 DPP4 (0.47) DPP4DPP7DPP8P2RX7
SCHEMBL4890305 0.87 DPP4 (0.47) DPP4DPP7DPP8P2RX7
SCHEMBL8273808 0.85 DPP4 (0.47) DPP4DPP7DPP8

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 DPP4 1/4885DPP7 4/4885DPP8 2/4885

“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.