SCHEMBL915526

SCHEMBL915526

CC(C)(C)OC(=O)NCCCCc1ccc(OCC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA12 O43570 5/20 0.52
CA9 Q16790 5/20 0.52
TDP1 Q9NUW8 1/20 0.45
SUCNR1 Q9BXA5 4/20 0.43
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL2329987 0.85 MGLL (0.51) CA1CA2CA12CA9TDP1
SCHEMBL917117 0.83 CA1 (0.54) CA1CA2CA12CA9TDP1
SCHEMBL910539 0.82 CA1 (0.62) CA1CA2CA12CA9TDP1
SCHEMBL5015557 0.82 CA1 (0.59) CA1CA2CA12CA9TDP1
SCHEMBL916429 0.82 CA1 (0.53) CA1CA2CA12CA9TDP1
SCHEMBL21482930 0.82 CTSS (0.47) CA1CA2CA12CA9TDP1
SCHEMBL21997301 0.81 MGLL (0.51) CA1CA2CA12CA9TDP1
SCHEMBL7275476 0.81 BCHE (0.56) CA1CA2CA12CA9SIGMAR1
SCHEMBL4685476 0.80 CA1 (0.50) CA1CA2CA12CA9TDP1
SCHEMBL30521147 0.80 CA1 (0.60) CA1CA2CA12CA9SUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663235-B1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2013-07-24 EP disclosed
US-8431579-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-04-30 US disclosed
EP-2465852-A1 Capped pyrazinoylguanidine sodium channel blockers Parion Sciences, Inc. (US) 2012-06-20 EP disclosed
US-20110046158-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-02-24 US disclosed
US-7868010-B2 N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N-(4-{4-[3-(1H-tetrazol-5-yl)propoxy]phenyl}butyl)guanidine hydrochloride; absorbed less rapidly from mucosal surfaces, less reversible PARION SCIENCES, INC. (US) 2011-01-11 US disclosed
US-7868010-B2 N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N-(4-{4-[3-(1H-tetrazol-5-yl)propoxy]phenyl}butyl)guanidine hydrochloride; absorbed less rapidly from mucosal surfaces, less reversible PARION SCIENCES, INC. (US) 2011-01-11 US disclosed
US-20090018144-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-01-15 US disclosed
US-20090018144-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-01-15 US disclosed
EP-1663235-A4 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-11-12 EP disclosed
US-7410968-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-08-12 US disclosed
EP-1663235-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2006-06-07 EP disclosed
EP-1656096-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS Parion Sciences, Inc. (US) 2006-05-17 EP disclosed
US-20060052395-A1 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2006-03-09 US disclosed
US-20060052394-A1 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2006-03-09 US disclosed
US-20050234072-A1 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC., DURHAM, NC 2005-10-20 US disclosed
US-20050228182-A1 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2005-10-13 US disclosed
US-20050090505-A1 Methods of reducing risk of infection from pathogens JOHNSON MICHAEL R (US) 2005-04-28 US disclosed
WO-2005034847-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS PARION SCIENCES, INC. (US) 2005-04-21 WO disclosed
US-20050080091-A1 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2005-04-14 US disclosed
WO-2005018644-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2005-03-03 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-20110046158-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 CA1 814/4885CA2 155/4885CA12 1171/4885
US-20060052394-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 CA1 814/4885CA2 155/4885CA12 1171/4885
US-20050080091-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 CA1 814/4885CA2 155/4885CA12 1171/4885
US-20050234072-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 CA1 814/4885CA2 155/4885CA12 1171/4885
US-20050228182-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 CA1 814/4885CA2 155/4885CA12 1171/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 CA1 1067/4885CA2 126/4885CA12 1351/4885
US-20060052395-A1 Capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 CA1 814/4885CA2 155/4885CA12 1171/4885
US-20090018144-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS SCNN1B, SCNN1G, SCNN1A CA1 391/4885CA2 146/4885CA12 749/4885

“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.