SCHEMBL5638795

SCHEMBL5638795

Cn1c(=O)n(CCC2CCCCC2)c(=O)c2c1nc(N1CCCNCC1)n2Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.67
TSHR P16473 5/20 0.57
ALDH1A1 P00352 4/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
LMNA P02545 4/20 0.56
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
FAP Q12884 3/20 0.53

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
SCHEMBL7011232 0.92 DPP4 (0.57) DPP4TSHRALDH1A1NPSR1MAPK1
SCHEMBL5640887 0.87 DPP4 (0.74) DPP4TSHRALDH1A1NPSR1MAPK1
SCHEMBL555986 0.85 DPP4 (0.92) DPP4TSHRALDH1A1NPSR1MAPK1
SCHEMBL554778 0.85 DPP4 (0.87) DPP4TSHRALDH1A1NPSR1MAPK1
SCHEMBL5640282 0.85 DPP4 (0.71) DPP4TSHRALDH1A1NPSR1MAPK1
SCHEMBL5638267 0.85 DPP4 (0.71) DPP4TSHRALDH1A1NPSR1MAPK1
SCHEMBL5642039 0.83 DPP4 (0.68) DPP4TSHRALDH1A1NPSR1MAPK1
SCHEMBL5642832 0.83 DPP4 (0.80) DPP4TSHRALDH1A1NPSR1MAPK1
SCHEMBL5641290 0.83 DPP4 (0.73) DPP4TSHRALDH1A1NPSR1MAPK1
SCHEMBL5642037 0.83 DPP4 (0.65) DPP4TSHRALDH1A1NPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US claimed
EP-1561752-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-08-10 EP claimed
EP-1301187-B1 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK AS (DK) 2005-07-06 EP claimed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 US claimed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
EP-1561752-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-08-10 EP disclosed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 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-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885TSHR 3443/4885ALDH1A1 360/4885

“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.