SCHEMBL1684776

SCHEMBL1684776

CC(C)(C)OC(=O)N1CCC(C#N)(NC(=O)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.43
CTSB P07858 8/20 0.43
CTSK P43235 8/20 0.43
EPHX2 P34913 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
CTSL P07711 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL5567245 0.92 CTSK (0.39) CTSSCTSBCTSKEPHX2USP2
SCHEMBL848138 0.84 CTSS (0.39) CTSSCTSBCTSKEPHX2USP2
SCHEMBL7014148 0.82 USP2 (0.45) CTSKEPHX2USP2SMN1; SMN2JAK2
SCHEMBL16357885 0.82 CTSS (0.38) CTSSCTSBCTSKEPHX2USP2
SCHEMBL17848662 0.81 HDAC2 (0.45) EPHX2USP2SMN1; SMN2GPR119
SCHEMBL14206768 0.80 USP2 (0.43) EPHX2USP2SMN1; SMN2JAK2JAK1
SCHEMBL18319117 0.80 CTSL (0.43) CTSSCTSBCTSKEPHX2USP2
SCHEMBL13551798 0.79 KMT2A (0.49) CTSSCTSBCTSKEPHX2
SCHEMBL13065393 0.79 KMT2A (0.49) CTSSCTSBCTSKEPHX2
SCHEMBL17445321 0.78 CTSS (0.37) CTSSCTSBCTSKEPHX2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444120-B1 Spirocyclic amiloride analogues as ENac blockers NOVARTIS AG (CH) 2017-09-27 EP disclosed
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
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 EP 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-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 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
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
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US 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
US-7202246-B2 Spiro-rifamycin derivatives targeting RNA polymerase CUMBRE PHARMACEUTICALS INC. (US) 2007-04-10 US disclosed
US-7202246-B2 Spiro-rifamycin derivatives targeting RNA polymerase CUMBRE PHARMACEUTICALS INC. (US) 2007-04-10 US disclosed
US-20050277633-A1 E.g., rifamycin S derivatives such as 2',2'-Dimethyl-3,4-piperazinorifamycin S and Spiro[N-methyl-piperidine-3,4-piperazinorifamycin S; treating bacterial infections, especially those caused by rifamycin-resistant bacteria CUMBRE INC. (US) 2005-12-15 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 (7 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 CTSS 2550/4885CTSB 1767/4885CTSK 2566/4885
US-20050277633-A1 E.g., rifamycin S derivatives such as 2',2'-Dimethyl-3,4-piperazinorifamycin S and Spiro[N-methyl-piperidine-3,4-piperazinorifamycin S; treating bacterial infections, especially those caused by rifamycin-resistant bacteria RIF1, MAPRE1, MAPRE2 CTSS 3250/4885CTSB 3129/4885CTSK 3168/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G CTSS 3868/4885CTSB 4038/4885CTSK 3994/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G CTSS 3868/4885CTSB 4038/4885CTSK 3994/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CTSS 2550/4885CTSB 1767/4885CTSK 2566/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E CTSS 4061/4885CTSB 4421/4885CTSK 4256/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CTSS 2550/4885CTSB 1767/4885CTSK 2566/4885

“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.