SCHEMBL5075995

SCHEMBL5075995

CCCCCCCn1c(N2CCNCC2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.83
KMT2A Q03164 5/20 0.83
NPSR1 Q6W5P4 4/20 0.77
TSHR P16473 4/20 0.77
ALDH1A1 P00352 4/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
MAPT P10636 3/20 0.77
XBP1 P17861 2/20 0.77
HTT P42858 3/20 0.72
USP2 O75604 2/20 0.70
POLB P06746 2/20 0.68
MAPK1 P28482 3/20 0.66
DPP4 P27487 1/20 0.65
GAA P10253 1/20 0.64
SIRT5 Q9NXA8 1/20 0.64
NTSR1 P30989 1/20 0.63
LMNA P02545 3/20 0.63
TP53 P04637 2/20 0.63
ALOX15 P16050 2/20 0.63
HPGD P15428 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
SCHEMBL5075030 0.99 MEN1 (0.81) MEN1KMT2ANPSR1TSHRALDH1A1
SCHEMBL5075053 0.95 MEN1 (0.75) MEN1KMT2ANPSR1TSHRALDH1A1
SCHEMBL5075051 0.91 DPP4 (0.70) MEN1KMT2ANPSR1TSHRALDH1A1
SCHEMBL5075295 0.87 DPP4 (0.71) MEN1KMT2ANPSR1TSHRALDH1A1
SCHEMBL5075972 0.83 MEN1 (0.83) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL5075081 0.82 DPP4 (0.81) MEN1KMT2ANPSR1TSHRALDH1A1
SCHEMBL27582639 0.81 DPP4 (0.67) MEN1KMT2ANPSR1TSHRALDH1A1
SCHEMBL5718933 0.81 ALDH1A1 (0.81) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL10309073 0.80 ALDH1A1 (0.76) MEN1KMT2ANPSR1TSHRALDH1A1
SCHEMBL555918 0.80 ALDH1A1 (0.81) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2

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 21 patents — showing the first 20. 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
EP-1561752-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-08-10 EP claimed
EP-1496877-A2 METHOD AND COMPOSITION FOR TREATMENT OF DIABETES, HYPERTENSION, CHRONIC HEART FAILURE AND FLUID RETENTIVE STATES NOVO NORDISK A/S (DK) 2005-01-19 EP claimed
US-20040034014-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS BENDTZ (DK) 2004-02-19 US 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
WO-2003057200-A2 COMPOSITIONS COMPRISING INHIBITORS OF DPP-IV AND NEP ENZYMES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-07-17 WO 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
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-1496877-A2 METHOD AND COMPOSITION FOR TREATMENT OF DIABETES, HYPERTENSION, CHRONIC HEART FAILURE AND FLUID RETENTIVE STATES NOVO NORDISK A/S (DK) 2005-01-19 EP 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
WO-2003057200-A2 COMPOSITIONS COMPRISING INHIBITORS OF DPP-IV AND NEP ENZYMES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-07-17 WO 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 (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 MEN1 4621/4885KMT2A 1635/4885NPSR1 3771/4885
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 MEN1 4621/4885KMT2A 1635/4885NPSR1 3771/4885
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R MEN1 1029/4885KMT2A 3177/4885NPSR1 249/4885
US-20070197552-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R MEN1 1029/4885KMT2A 3177/4885NPSR1 249/4885

“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.