SCHEMBL4445281

SCHEMBL4445281

[CH2]C(=O)NCCNc1ccc(C#N)cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.53
DPP7 Q9UHL4 2/20 0.53
DPP8 Q6V1X1 1/20 0.53
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.41
GSK3B P49841 2/20 0.41
USP30 Q70CQ3 1/20 0.40
IDH1 O75874 1/20 0.40

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
SCHEMBL1514007 0.87 DPP4 (0.53) DPP4DPP7DPP8MEN1KMT2A
SCHEMBL6638863 0.84 DPP4 (0.53) DPP4DPP7DPP8MEN1KMT2A
SCHEMBL21521629 0.79 DPP7 (0.52) DPP4DPP7DPP8MEN1KMT2A
SCHEMBL8003211 0.79 DPP4 (0.47) DPP4DPP7DPP8
SCHEMBL8312031 0.79 DPP4 (0.60) DPP4DPP7DPP8MEN1KMT2A
SCHEMBL1726095 0.79 DPP7 (0.50) DPP4DPP7DPP8MEN1KMT2A
SCHEMBL7367925 0.79 DPP7 (0.47) DPP4DPP7DPP8MEN1KMT2A
SCHEMBL402113 0.78 DPP7 (0.51) DPP4DPP7DPP8MEN1KMT2A
SCHEMBL6125342 0.77 DPP4 (0.48) DPP4DPP7DPP8MEN1KMT2A
SCHEMBL402112 0.77 DPP4 (0.51) DPP4DPP7DPP8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130052239-A1 Formulation JOSHI YATINDRA (US) 2013-02-28 US claimed
US-20110301172-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METMORFORMIN BURKEY BRYAN (US) 2011-12-08 US claimed
US-20090253752-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METMORFIN BURKEY BRYAN 2009-10-08 US claimed
US-20080299190-A1 Direct Compression Formulation and Process NOVARTIS AG (CH) 2008-12-04 US claimed
US-20080193529-A1 Direct Compression Formulation and Process KOWALSKI JAMES 2008-08-14 US claimed
US-20070149451-A1 Combination of a dpp IV inhibitor and an antiobesity or appetite regulating agent HOLMES DAVID G 2007-06-28 US claimed
EP-3366283-A1 DIRECT COMPRESSION FORMULATION AND PROCESS Novartis AG (CH) 2018-08-29 EP disclosed
US-20140287040-A1 Formulation NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140205663-A1 Direct Compression Formulation and Process NOVARTIS AG (CH) 2014-07-24 US disclosed
US-20130052239-A1 Formulation JOSHI YATINDRA (US) 2013-02-28 US disclosed
US-20120294939-A1 DIRECT COMPRESSION FORMULATION AND PROCESS KOWALSKI JAMES (US) 2012-11-22 US disclosed
US-20110301172-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METMORFORMIN BURKEY BRYAN (US) 2011-12-08 US disclosed
US-20090253752-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METMORFIN BURKEY BRYAN 2009-10-08 US disclosed
US-20080269311-A1 Combination of Dpp-Iv Inhibitors and Compounds Modulating 5-Ht3 and/or 5-Ht4 Receptors VILLHAUER EDWIN BERNARD 2008-10-30 US disclosed
US-20080221200-A1 Combination of Organic Compounds ALLISON MALCOLM 2008-09-11 US disclosed
US-20080193529-A1 Direct Compression Formulation and Process KOWALSKI JAMES 2008-08-14 US disclosed
US-20080038341-A1 Free-flowing, cohesive tableting powder for direct compressed tablet; DPP-IV inhibitor and glitazone, in unit dosage form; acceptable dissolution profile; acceptable degrees of hardness, resistance to chipping, short disintegration time KOWALSKI JAMES 2008-02-14 US disclosed
US-20070293474-A1 Combination of a DPP IV inhibitor and a cardiovascular compound HOLMES DAVID G 2007-12-20 US disclosed
US-20070264194-A1 Peptides That Bind To Atherosclerotic Lesions THE SCRIPPS RESEARCH INSTITUTE (US) 2007-11-15 US disclosed
US-20070149451-A1 Combination of a dpp IV inhibitor and an antiobesity or appetite regulating agent HOLMES DAVID G 2007-06-28 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 (14 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-20080299190-A1 Direct Compression Formulation and Process DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 6/4885
US-20070149451-A1 Combination of a dpp IV inhibitor and an antiobesity or appetite regulating agent GIPR, DPP4, MC4R DPP4 2/4885DPP7 9/4885DPP8 20/4885
US-20080038341-A1 Free-flowing, cohesive tableting powder for direct compressed tablet; DPP-IV inhibitor and glitazone, in unit dosage form; acceptable dissolution profile; acceptable degrees of hardness, resistance to chipping, short disintegration time DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20070264194-A1 Peptides That Bind To Atherosclerotic Lesions FABP3, CCL2, VCAM1 DPP4 659/4885DPP7 651/4885DPP8 1189/4885
US-20070293474-A1 Combination of a DPP IV inhibitor and a cardiovascular compound DPP4, DPP3, DPP9 DPP4 1/4885DPP7 4/4885DPP8 5/4885
US-20090253752-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METMORFIN PPARG, DPP4, DPP3 DPP4 2/4885DPP7 5/4885DPP8 7/4885
US-20080193529-A1 Direct Compression Formulation and Process DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20110301172-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METMORFORMIN PPARG, DPP4, DPP3 DPP4 2/4885DPP7 5/4885DPP8 7/4885
US-20080221200-A1 Combination of Organic Compounds DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 5/4885
US-20140205663-A1 Direct Compression Formulation and Process DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 5/4885
US-20140287040-A1 Formulation DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20080269311-A1 Combination of Dpp-Iv Inhibitors and Compounds Modulating 5-Ht3 and/or 5-Ht4 Receptors HTR4, DPP4, HTR3B DPP4 2/4885DPP7 20/4885DPP8 23/4885
US-20130052239-A1 Formulation DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885
US-20120294939-A1 DIRECT COMPRESSION FORMULATION AND PROCESS DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 5/4885

“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.