SCHEMBL4668916

SCHEMBL4668916

Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC(N)C1)n2C(CC(=O)c1csc2ccccc12)c1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.44
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM1 P11229 2/20 0.38

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
SCHEMBL4668781 0.87 DPP4 (0.48) DPP4ALDH1A1TSHRALOX15THRB
SCHEMBL4667079 0.86 DPP4 (0.45) DPP4ALDH1A1TSHRALOX15THRB
SCHEMBL4667102 0.86 DPP4 (0.45) DPP4ALDH1A1TSHRALOX15THRB
SCHEMBL4669775 0.85 DPP4 (0.46) DPP4ALDH1A1TSHRALOX15CYP3A4
SCHEMBL4669787 0.83 DPP4 (0.45) DPP4ALDH1A1TSHRALOX15CYP3A4
SCHEMBL6673709 0.82 DPP4 (0.44) DPP4ALDH1A1TSHRALOX15CYP3A4
SCHEMBL4668927 0.80 DPP4 (0.53) DPP4ALDH1A1TSHRALOX15CYP3A4
SCHEMBL4667772 0.80 DPP4 (0.53) DPP4ALDH1A1TSHRALOX15CYP3A4
SCHEMBL4668615 0.78 MEN1 (0.51) DPP4ALDH1A1TSHRALOX15THRB
SCHEMBL4668800 0.75 MEN1 (0.47) DPP4ALDH1A1TSHRALOX15THRB

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 7 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
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 1/4885ALDH1A1 176/4885TSHR 3409/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885ALDH1A1 55/4885TSHR 3634/4885

“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.