SCHEMBL4668640

SCHEMBL4668640

Cn1c(=O)n(CC(=O)Nc2cccnc2)c(=O)c2c1nc(N1CCC[C@@H](N)C1)n2Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.65
CHRM1 P11229 4/20 0.58
CHRM2 P08172 1/20 0.58
CHRM3 P20309 1/20 0.58
KCNH2 Q12809 1/20 0.58
GPR119 Q8TDV5 1/20 0.55
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL4668644 1.00 DPP4 (0.65) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL3904090 0.90 DPP4 (0.69) DPP4CHRM1GPR119
SCHEMBL3904102 0.90 DPP4 (0.69) DPP4CHRM1GPR119
SCHEMBL4668631 0.87 DPP4 (0.68) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4668636 0.87 DPP4 (0.68) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4668925 0.86 DPP4 (0.66) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4668931 0.86 DPP4 (0.66) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4668977 0.85 DPP4 (0.71) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4668979 0.85 DPP4 (0.71) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL3904016 0.84 DPP4 (0.79) DPP4CHRM1CHRM3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US claimed
EP-1404675-B1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK AS (DK) 2008-03-12 EP disclosed
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-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US 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 1/4885CHRM1 4334/4885CHRM2 4108/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885CHRM1 3512/4885CHRM2 4069/4885

“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.