SCHEMBL1586969

SCHEMBL1586969

NC(=O)C(N)CCCNC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.63
DPP7 Q9UHL4 3/20 0.63
HTT P42858 1/20 0.62
SLC1A3 P43003 1/20 0.62
SLC1A1 P43005 1/20 0.62
ANPEP P15144 1/20 0.60
DPP4 P27487 2/20 0.58
DPP9 Q86TI2 2/20 0.58
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TGM2 P21980 1/20 0.55
KEAP1 Q14145 2/20 0.54
NFE2L2 Q16236 2/20 0.54
FOLH1 Q04609 3/20 0.53
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50

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
SCHEMBL1586968 1.00 DPP8 (0.63) DPP8DPP7HTTSLC1A3SLC1A1
SCHEMBL4177384 0.96 DPP8 (0.68) DPP8DPP7HTTSLC1A3SLC1A1
SCHEMBL4177378 0.96 DPP8 (0.68) DPP8DPP7HTTSLC1A3SLC1A1
Hydrochloric Acid SCHEMBL3180697 0.95 DPP8 (0.67) DPP8DPP7HTTSLC1A3SLC1A1
Hydrochloric Acid SCHEMBL3180712 0.95 DPP8 (0.67) DPP8DPP7HTTSLC1A3SLC1A1
SCHEMBL4986552 0.90 SLC1A3 (0.70) DPP8DPP7HTTSLC1A3SLC1A1
SCHEMBL2677967 0.90 SLC1A3 (0.70) DPP8DPP7HTTSLC1A3SLC1A1
SCHEMBL2037306 0.90 SLC1A3 (0.70) DPP8DPP7HTTSLC1A3SLC1A1
SCHEMBL9656664 0.90 DPP8 (0.64) DPP8DPP7HTTSLC1A3SLC1A1
Trifluoroacetic Acid SCHEMBL30685089 0.89 DPP8 (0.61) DPP8DPP7HTTSLC1A3SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643983-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2017-05-09 US disclosed
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2016-03-10 US disclosed
US-9139586-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2015-09-22 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
EP-2813227-A1 Compositions for treatment of cystic fibrosis and other chronic diseases Vertex Pharmaceuticals Incorporated (US) 2014-12-17 EP disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-01 US disclosed
US-8697687-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2014-04-15 US disclosed
EP-2444120-A1 Spirocyclic amiloride analogues as ENac blockers Novartis AG (CH) 2012-04-25 EP disclosed
US-8039472-B2 Pyrazine-2-carboxamide derivatives to treat diseases mediated by blockade of the epithelial sodium channel NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 US disclosed
WO-2011050325-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-28 WO disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
CN-101939054-A Organic compounds NOVARTIS AG 2011-01-05 CN disclosed
EP-2231280-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-09-29 EP disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 US disclosed
WO-2009074575-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 WO disclosed
CN-1898227-A As prostaglandin E2Ornithine derivatives as agonists or antagonists ASTELLAS PHARMA INC (JP) 2007-01-17 CN 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 (9 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-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 DPP8 3435/4885DPP7 2802/4885HTT 2063/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 DPP8 3435/4885DPP7 2802/4885HTT 2063/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G DPP8 1665/4885DPP7 1133/4885HTT 2091/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G DPP8 1665/4885DPP7 1133/4885HTT 2091/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 DPP8 3435/4885DPP7 2802/4885HTT 2063/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 DPP8 3435/4885DPP7 2802/4885HTT 2063/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E DPP8 3848/4885DPP7 4322/4885HTT 2553/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 DPP8 3435/4885DPP7 2802/4885HTT 2063/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G DPP8 1665/4885DPP7 1133/4885HTT 2091/4885

“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.