SCHEMBL2949895

SCHEMBL2949895

CCn1c(N2CCC[C@@H](N)C2)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.81
CHRM1 P11229 7/20 0.81
FAP Q12884 3/20 0.57
POU2F2 P09086 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
POU2F1 P14859 1/20 0.57
CHRM3 P20309 1/20 0.57
HRH2 P25021 1/20 0.57
MC4R P32245 1/20 0.57
DPP8 Q6V1X1 1/20 0.57
DPP9 Q86TI2 1/20 0.57
GHSR Q92847 1/20 0.57

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
SCHEMBL19154424 0.92 DPP4 (0.77) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL8354330 0.91 DPP4 (0.69) DPP4CHRM1
SCHEMBL19170393 0.91 DPP4 (0.77) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL196652 0.90 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL196653 0.90 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL29800971 0.90 DPP4 (1.00) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL13485028 0.88 DPP4 (0.64) DPP4CHRM1
SCHEMBL13911695 0.88 DPP4 (0.64) DPP4CHRM1
SCHEMBL24508878 0.87 DPP4 (0.79) DPP4CHRM1FAPPOU2F2ADORA3
SCHEMBL8349842 0.87 DPP4 (0.63) DPP4CHRM1

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-9713618-B2 Method for modifying food intake and regulating food preference with a DPP-4 inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-07-25 US disclosed
US-8232281-B2 Uses of DPP-IV inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-20120165251-A1 Diabetes therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120003313-A1 DPP IV INHIBITOR FORMULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-20110190322-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 US disclosed
US-20110098240-A1 PHARMACEUTICAL COMPOSITION COMPRISING A SGLT2 INHIBITOR IN COMBINATION WITH A DPP-IV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110092510-A1 DPP-IV INHIBITORS FOR USE IN THE TREATMENT OF NAFLD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-21 US disclosed
US-20110065731-A1 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-17 US disclosed
EP-2023902-B1 DPP IV INHIBITOR FORMULATIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-08 EP disclosed
US-7667035-B2 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-23 US disclosed
EP-1569936-B1 NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-03-18 EP disclosed
US-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-22 US disclosed
US-7439370-B2 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070281940-A1 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-06 US disclosed
WO-2004050658-A1 NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-17 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 (8 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-20110092510-A1 DPP-IV INHIBITORS FOR USE IN THE TREATMENT OF NAFLD DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 3696/4885FAP 25/4885
US-20070281940-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 2215/4885FAP 13/4885
US-20120165251-A1 Diabetes therapy DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 2895/4885FAP 113/4885
US-20110065731-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 2215/4885FAP 13/4885
US-20110098240-A1 PHARMACEUTICAL COMPOSITION COMPRISING A SGLT2 INHIBITOR IN COMBINATION WITH A DPP-IV INHIBITOR SLC5A1, SLC5A2, DPP4 DPP4 3/4885CHRM1 3573/4885FAP 413/4885
US-20120003313-A1 DPP IV INHIBITOR FORMULATIONS DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 4517/4885FAP 26/4885
US-20110190322-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES DPP4, DPP7, DPP3 DPP4 1/4885CHRM1 4554/4885FAP 12/4885
US-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES CHRM1, CHRM2, CYP3A43 DPP4 774/4885CHRM1 1/4885FAP 3938/4885

“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.