SCHEMBL5638147

SCHEMBL5638147

Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCNCC1)n2Cc1ccccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.73
TSHR P16473 7/20 0.73
HTT P42858 4/20 0.73
HSD17B10 Q99714 3/20 0.73
GAA P10253 2/20 0.73
THRB P10828 1/20 0.73
DPP4 P27487 2/20 0.72
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
L3MBTL1 Q9Y468 2/20 0.68
POLB P06746 5/20 0.65
SIRT5 Q9NXA8 1/20 0.65
USP2 O75604 2/20 0.65
NPSR1 Q6W5P4 3/20 0.64
LMNA P02545 2/20 0.64
TP53 P04637 2/20 0.64
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.58

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
SCHEMBL5073366 0.96 ALDH1A1 (0.79) ALDH1A1TSHRHTTHSD17B10GAA
SCHEMBL5641022 0.89 DPP4 (0.69) ALDH1A1TSHRHTTHSD17B10GAA
SCHEMBL5640626 0.89 DPP4 (0.69) ALDH1A1TSHRHTTHSD17B10GAA
SCHEMBL5642288 0.88 DPP4 (0.92) ALDH1A1TSHRHTTDPP4MEN1
SCHEMBL7002114 0.88 DPP4 (0.92) ALDH1A1TSHRHTTDPP4MEN1
SCHEMBL14524155 0.88 DPP4 (0.66) ALDH1A1TSHRHTTHSD17B10GAA
SCHEMBL5642757 0.87 DPP4 (0.69) ALDH1A1TSHRHTTHSD17B10GAA
SCHEMBL5642756 0.86 DPP4 (0.66) ALDH1A1TSHRHTTHSD17B10GAA
SCHEMBL5641481 0.86 DPP4 (0.92) ALDH1A1TSHRHTTHSD17B10DPP4
SCHEMBL22800900 0.84 DPP4 (0.74) ALDH1A1TSHRHTTHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US claimed
EP-1561752-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-08-10 EP claimed
EP-1301187-B1 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK AS (DK) 2005-07-06 EP claimed
EP-1301187-A2 HETEROCYCLIC COMPOUNDS, WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2003-04-16 EP claimed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 US claimed
WO-2002002560-A2 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-01-10 WO claimed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
EP-1561752-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-08-10 EP disclosed
EP-1301187-B1 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK AS (DK) 2005-07-06 EP disclosed
US-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS BENDTZ (DK) 2004-02-19 US disclosed
EP-1301187-A2 HETEROCYCLIC COMPOUNDS, WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2003-04-16 EP disclosed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 US disclosed
WO-2002002560-A2 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-01-10 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-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 ALDH1A1 360/4885TSHR 3443/4885HTT 1168/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 ALDH1A1 360/4885TSHR 3443/4885HTT 1168/4885

“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.