SCHEMBL4669820

SCHEMBL4669820

Cc1ccccc1Cn1c(N2CCCC(NC(=O)OC(C)(C)C)C2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 15/20 0.61
▸ TP53 P04637 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ADORA2A P29274 1/20 0.48

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
SCHEMBL1542658 0.92 DPP4 (0.61) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL637720 0.92 DPP4 (0.67) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL4669750 0.90 DPP4 (0.66) DPP4TP53ALDH1A1LMNAMAPT
SCHEMBL4780529 0.87 DPP4 (0.55) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL4668917 0.87 DPP4 (0.61) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL4667139 0.86 DPP4 (0.61) DPP4TP53ALDH1A1LMNAMAPT
SCHEMBL4667088 0.85 DPP4 (0.64) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL555035 0.84 DPP4 (0.54) DPP4
SCHEMBL554795 0.83 DPP4 (0.69) DPP4
SCHEMBL637117 0.83 DPP4 (0.63) DPP4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404675-B1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK AS (DK) 2008-03-12 — — EP disclosed
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 — — US disclosed
US-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS B (DK) 2005-07-07 — — US disclosed
US-6869947-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-03-22 — — US disclosed
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 — — WO disclosed
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-06-05 — — 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 (2 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-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885TP53 4406/4885ALDH1A1 176/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885TP53 4444/4885ALDH1A1 55/4885

“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.

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