SCHEMBL4668747

SCHEMBL4668747

Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC(N)C1)n2Cc1ccccc1C#N

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.72
ALDH1A1 P00352 2/20 0.61
TSHR P16473 2/20 0.61
THRB P10828 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CYP3A4 P08684 1/20 0.61
USP2 O75604 1/20 0.59
HTT P42858 1/20 0.59
FAP Q12884 1/20 0.59

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
SCHEMBL4668646 0.97 DPP4 (0.75) DPP4ALDH1A1TSHRTHRBHSD17B10
SCHEMBL1068145 0.89 TSHR (0.64) DPP4ALDH1A1TSHRTHRBHSD17B10
SCHEMBL14569478 0.88 TSHR (0.63) DPP4ALDH1A1TSHRTHRBHSD17B10
SCHEMBL4667765 0.88 ALDH1A1 (0.79) DPP4ALDH1A1TSHRTHRBHSD17B10
SCHEMBL4667020 0.88 TSHR (0.63) DPP4ALDH1A1TSHRTHRBHSD17B10
SCHEMBL4666981 0.87 TSHR (0.72) DPP4ALDH1A1TSHRTHRBHSD17B10
SCHEMBL4668611 0.86 DPP4 (0.95) DPP4CYP3A4FAP
SCHEMBL4669803 0.86 TSHR (0.68) DPP4ALDH1A1TSHRTHRBHSD17B10
SCHEMBL4668779 0.86 DPP4 (0.62) DPP4ALDH1A1TSHRTHRBHSD17B10
SCHEMBL4668592 0.85 TSHR (0.83) DPP4ALDH1A1TSHRTHRBHSD17B10

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 11 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-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
EP-1404675-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2004-04-07 EP disclosed
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-06-05 US disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 WO 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.