SCHEMBL5075830

SCHEMBL5075830

Cn1c(=O)c2c(nc(Cn3c(N4CCNCC4)nc4c3c(=O)n(C)c(=O)n4C)n2C)n(C)c1=O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.71
L3MBTL1 Q9Y468 3/20 0.66
ALDH1A1 P00352 4/20 0.65
NUDT5 Q9UKK9 1/20 0.57
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL5643920 0.85 DPP4 (0.69) DPP4L3MBTL1ALDH1A1NUDT5KMT2A
SCHEMBL531646 0.85 KMT2A (0.75) DPP4L3MBTL1ALDH1A1KMT2ANPSR1
SCHEMBL5323627 0.83 DPP4 (1.00) DPP4L3MBTL1ALDH1A1KMT2ANPSR1
SCHEMBL5642329 0.83 DPP4 (0.67) DPP4L3MBTL1ALDH1A1NUDT5KMT2A
SCHEMBL5718859 0.83 L3MBTL1 (0.80) DPP4L3MBTL1ALDH1A1KMT2ANPSR1
SCHEMBL27600177 0.83 DPP4 (0.67) DPP4L3MBTL1ALDH1A1NUDT5KMT2A
SCHEMBL555190 0.83 DPP4 (0.77) DPP4L3MBTL1ALDH1A1NUDT5KMT2A
SCHEMBL5643215 0.83 DPP4 (0.69) DPP4L3MBTL1ALDH1A1NUDT5KMT2A
SCHEMBL5073444 0.83 DPP4 (0.72) DPP4L3MBTL1ALDH1A1KMT2ANPSR1
SCHEMBL5643509 0.82 DPP4 (0.82) DPP4L3MBTL1ALDH1A1NUDT5KMT2A

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
EP-1496877-B1 METHOD AND COMPOSITION FOR TREATMENT OF DIABETES, HYPERTENSION, CHRONIC HEART FAILURE AND FLUID RETENTIVE STATES NOVO NORDISK AS (DK) 2008-10-01 EP claimed
US-20070197552-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states NOVO NORDISK A/S (DK) 2007-08-23 US claimed
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
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states NOVO NORDISK A/S (DK) 2003-12-25 US claimed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 US claimed
EP-1496877-B1 METHOD AND COMPOSITION FOR TREATMENT OF DIABETES, HYPERTENSION, CHRONIC HEART FAILURE AND FLUID RETENTIVE STATES NOVO NORDISK AS (DK) 2008-10-01 EP disclosed
US-20070197552-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states NOVO NORDISK A/S (DK) 2007-08-23 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
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states NOVO NORDISK A/S (DK) 2003-12-25 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 (4 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 1/4885L3MBTL1 1646/4885ALDH1A1 360/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885L3MBTL1 1646/4885ALDH1A1 360/4885
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R DPP4 1/4885L3MBTL1 2741/4885ALDH1A1 2283/4885
US-20070197552-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R DPP4 1/4885L3MBTL1 2741/4885ALDH1A1 2283/4885

“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.