SCHEMBL5642908

SCHEMBL5642908

CC(C)CCCCn1c(=O)c2c(nc(N3CCCNCC3)n2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.67
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 5/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
FAP Q12884 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL5638267 0.94 DPP4 (0.71) DPP4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5640282 0.89 DPP4 (0.71) DPP4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5640887 0.87 DPP4 (0.74) DPP4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL555986 0.85 DPP4 (0.92) DPP4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL554778 0.85 DPP4 (0.87) DPP4L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL5642039 0.83 DPP4 (0.68) DPP4KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL5642832 0.83 DPP4 (0.80) DPP4MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5641290 0.83 DPP4 (0.73) DPP4L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL5638795 0.83 DPP4 (0.67) DPP4L3MBTL1ALDH1A1TSHRLMNA
SCHEMBL5642270 0.82 DPP4 (0.68) DPP4L3MBTL1ALDH1A1TSHRLMNA

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-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
US-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS BENDTZ (DK) 2004-02-19 US disclosed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 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-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885MEN1 4621/4885KMT2A 1635/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885MEN1 4621/4885KMT2A 1635/4885

“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.