SCHEMBL4669779

SCHEMBL4669779

NC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2Cc2cc(F)cc(F)c2)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.58
TSHR P16473 4/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 4/20 0.52
HTT P42858 1/20 0.52
ALOX15 P16050 1/20 0.51
THRB P10828 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP3A4 P08684 1/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL4668509 0.94 DPP4 (0.57) DPP4TSHRKMT2ANPSR1MEN1
SCHEMBL4668818 0.92 DPP4 (0.66) DPP4TSHRKMT2ANPSR1MEN1
SCHEMBL4668748 0.89 DPP4 (0.56) DPP4TSHRKMT2ANPSR1MEN1
SCHEMBL4668968 0.88 ALDH1A1 (0.56) DPP4TSHRKMT2ANPSR1MEN1
SCHEMBL4668807 0.85 DPP4 (0.68) DPP4TSHRALDH1A1HTTTHRB
SCHEMBL4668663 0.85 TSHR (0.73) DPP4TSHRKMT2ANPSR1MEN1
SCHEMBL4669718 0.85 DPP4 (0.59) DPP4TSHRKMT2ANPSR1MEN1
SCHEMBL6674823 0.85 DPP4 (0.59) DPP4TSHRKMT2ANPSR1MEN1
SCHEMBL4668656 0.85 DPP4 (0.58) DPP4TSHRKMT2ANPSR1MEN1
SCHEMBL4668769 0.84 ALDH1A1 (0.59) DPP4TSHRKMT2ANPSR1MEN1

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 12 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
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 1/4885TSHR 3409/4885KMT2A 2165/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885TSHR 3634/4885KMT2A 2337/4885

“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.