SCHEMBL685384

SCHEMBL685384

CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1ccccc1C#N)c(=O)n2C

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.84
CYP3A4 P08684 1/20 0.65

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
SCHEMBL4667656 0.97 DPP4 (0.90) DPP4CYP3A4
SCHEMBL4668939 0.97 DPP4 (0.90) DPP4CYP3A4
SCHEMBL8364873 0.93 DPP4 (0.83) DPP4CYP3A4
SCHEMBL4668849 0.92 DPP4 (0.81) DPP4
SCHEMBL4668943 0.92 DPP4 (0.81) DPP4CYP3A4
SCHEMBL4668947 0.92 DPP4 (0.81) DPP4CYP3A4
SCHEMBL556850 0.92 DPP4 (0.84) DPP4CYP3A4
SCHEMBL555347 0.91 DPP4 (1.00) DPP4CYP3A4
SCHEMBL4667775 0.91 DPP4 (1.00) DPP4CYP3A4
SCHEMBL196162 0.91 DPP4 (0.83) DPP4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120122776-A1 DPP-IV INHIBITORS FOR TREATMENT OF DIABETES IN PEDIATRIC PATIENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
US-20120094894-A1 ANTIDIABETIC MEDICATIONS COMPRISING A DPP-4 INHIBITOR (LINAGLIPTIN) OPTIONALLY IN COMBINATION WITH OTHER ANTIDIABETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110301182-A1 Treatment for diabetes in patients with inadequate glycemic control despite metformin therapy comprising a DPP-IV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
US-20110275561-A1 Treatment for diabetes in patients with insufficient glycemic control despite therapy with an oral or non-oral antidiabetic drug BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110263617-A1 Combination therapy for the treatment of diabetes and related conditions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110195917-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 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-20070281940-A1 USES OF DPP-IV INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-06 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 (12 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-20110275561-A1 Treatment for diabetes in patients with insufficient glycemic control despite therapy with an oral or non-oral antidiabetic drug DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 129/4885
US-20110195917-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATE DPP4, SLC5A1, DPP7 DPP4 1/4885CYP3A4 48/4885
US-20120094894-A1 ANTIDIABETIC MEDICATIONS COMPRISING A DPP-4 INHIBITOR (LINAGLIPTIN) OPTIONALLY IN COMBINATION WITH OTHER ANTIDIABETICS DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 54/4885
US-20110092510-A1 DPP-IV INHIBITORS FOR USE IN THE TREATMENT OF NAFLD DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 90/4885
US-20070281940-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 179/4885
US-20120165251-A1 Diabetes therapy DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 108/4885
US-20110065731-A1 USES OF DPP-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 179/4885
US-20110301182-A1 Treatment for diabetes in patients with inadequate glycemic control despite metformin therapy comprising a DPP-IV inhibitor DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 320/4885
US-20110263617-A1 Combination therapy for the treatment of diabetes and related conditions GPR119, DPP4, GLP1R DPP4 2/4885CYP3A4 1095/4885
US-20110098240-A1 PHARMACEUTICAL COMPOSITION COMPRISING A SGLT2 INHIBITOR IN COMBINATION WITH A DPP-IV INHIBITOR SLC5A1, SLC5A2, DPP4 DPP4 3/4885CYP3A4 279/4885
US-20110190322-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES DPP4, DPP7, DPP3 DPP4 1/4885CYP3A4 3420/4885
US-20120122776-A1 DPP-IV INHIBITORS FOR TREATMENT OF DIABETES IN PEDIATRIC PATIENTS DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 152/4885

“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.