SCHEMBL4668663

SCHEMBL4668663

Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC(N)C1)n2Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.73
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
NPSR1 Q6W5P4 3/20 0.73
DPP4 P27487 3/20 0.72
ALDH1A1 P00352 12/20 0.71
HTT P42858 3/20 0.71
ALOX15 P16050 3/20 0.69
HSD17B10 Q99714 2/20 0.67
THRB P10828 1/20 0.67
POLB P06746 1/20 0.66
MAPT P10636 4/20 0.63
MAPK1 P28482 4/20 0.63
LMNA P02545 2/20 0.61
TP53 P04637 1/20 0.60
XBP1 P17861 1/20 0.60
GAA P10253 1/20 0.59
GLA P06280 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NTSR1 P30989 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
SCHEMBL4666981 0.97 TSHR (0.72) TSHRMEN1KMT2ANPSR1DPP4
SCHEMBL4668818 0.92 DPP4 (0.66) TSHRMEN1KMT2ANPSR1DPP4
SCHEMBL4668505 0.90 TSHR (0.83) TSHRMEN1KMT2ANPSR1DPP4
SCHEMBL4668592 0.90 TSHR (0.83) TSHRMEN1KMT2ANPSR1DPP4
SCHEMBL4668769 0.89 ALDH1A1 (0.59) TSHRMEN1KMT2ANPSR1DPP4
SCHEMBL4669803 0.89 TSHR (0.68) TSHRMEN1KMT2ANPSR1DPP4
SCHEMBL4668968 0.88 ALDH1A1 (0.56) TSHRMEN1KMT2ANPSR1DPP4
SCHEMBL4667765 0.87 ALDH1A1 (0.79) TSHRMEN1KMT2ANPSR1DPP4
SCHEMBL4668646 0.86 DPP4 (0.75) TSHRDPP4ALDH1A1HSD17B10THRB
SCHEMBL4669718 0.86 DPP4 (0.59) TSHRMEN1KMT2ANPSR1DPP4

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 14 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
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
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 TSHR 3409/4885MEN1 4140/4885KMT2A 2165/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 TSHR 3634/4885MEN1 3558/4885KMT2A 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.