SCHEMBL4074251

SCHEMBL4074251

Cn1c(=O)c2c(nc(N3CCCCC(N)C3)n2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.94

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.94
TSHR P16473 3/20 0.77
ALDH1A1 P00352 3/20 0.77
LMNA P02545 2/20 0.77
MAPT P10636 2/20 0.77
MAPK1 P28482 3/20 0.71
RECQL P46063 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
CHRM1 P11229 1/20 0.60
TP53 P04637 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
KCNH2 Q12809 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
SCHEMBL4669794 0.97 DPP4 (1.00) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL554515 0.97 DPP4 (1.00) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL4667712 0.94 DPP4 (0.90) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL556204 0.94 DPP4 (0.90) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL4667057 0.94 DPP4 (0.90) DPP4TSHRALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5339031 0.93 DPP4 (0.88) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL555374 0.91 DPP4 (0.89) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL4668602 0.90 DPP4 (0.76) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL555521 0.89 DPP4 (0.85) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL555972 0.89 DPP4 (0.85) DPP4TSHRALDH1A1LMNAMAPT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757606-B1 Xanthinderivatives for use as medical agents and the preparation thereof BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP claimed
US-7192952-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK, A/S (DK) 2007-03-20 US claimed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 EP claimed
EP-1757606-B1 Xanthinderivatives for use as medical agents and the preparation thereof BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP disclosed
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
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
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-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-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-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
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-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
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
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 (3 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-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885TSHR 3634/4885ALDH1A1 55/4885
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R DPP4 1/4885TSHR 918/4885ALDH1A1 2283/4885
US-20070197552-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R DPP4 1/4885TSHR 918/4885ALDH1A1 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.