SCHEMBL910539

SCHEMBL910539

CC(C)(C)OC(=O)NCCCCc1ccc(OCCN)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.62
CA2 P00918 8/20 0.62
CA12 O43570 5/20 0.62
CA9 Q16790 5/20 0.62
SUCNR1 Q9BXA5 4/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL16383779 0.93 CA1 (0.57) CA1CA2CA12CA9SUCNR1
SCHEMBL16344311 0.93 CA1 (0.57) CA1CA2CA12CA9SUCNR1
SCHEMBL2328368 0.90 CA1 (0.61) CA1CA2CA12CA9SUCNR1
SCHEMBL5015557 0.88 CA1 (0.59) CA1CA2CA12CA9SUCNR1
SCHEMBL15032923 0.88 CA1 (0.59) CA1CA2CA12CA9SUCNR1
SCHEMBL17809681 0.86 CA1 (0.53) CA1CA2CA12CA9SUCNR1
SCHEMBL17809675 0.86 CA1 (0.53) CA1CA2CA12CA9SUCNR1
SCHEMBL30521147 0.86 CA1 (0.60) CA1CA2CA12CA9SUCNR1
SCHEMBL16383769 0.86 CA1 (0.57) CA1CA2CA12CA9SUCNR1
SCHEMBL16627553 0.86 CA1 (0.53) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241528-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2019-08-08 US disclosed
US-10167266-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2019-01-01 US disclosed
US-20170267650-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2017-09-21 US disclosed
US-20150376146-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2015-12-31 US disclosed
US-8846688-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2014-09-30 US disclosed
US-20140179625-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-06-26 US disclosed
US-8507497-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-08-13 US disclosed
US-8507497-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-08-13 US disclosed
EP-1922073-B1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2013-07-10 EP disclosed
US-20130012692-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2013-01-10 US disclosed
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-03-05 US disclosed
EP-1922073-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2008-05-21 EP disclosed
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-11-15 US disclosed
WO-2007018640-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-02-15 WO disclosed
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2007-02-08 US disclosed
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2007-02-08 US disclosed
EP-1485360-A4 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-07-05 EP disclosed
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents CYFI, INC. (US) 2006-06-29 US disclosed
EP-1485360-A2 SODIUM CHANNEL BLOCKERS Johnson, Michael R. (US) 2004-12-15 EP disclosed
WO-2003070182-A2 SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2003-08-28 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 (10 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-20170267650-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CA1 873/4885CA2 162/4885CA12 835/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G CA1 656/4885CA2 203/4885CA12 610/4885
US-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CA1 873/4885CA2 162/4885CA12 835/4885
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B CA1 589/4885CA2 176/4885CA12 1314/4885
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents ADRB2, ADRB3, ADRA1D CA1 3670/4885CA2 138/4885CA12 1619/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CA1 873/4885CA2 162/4885CA12 835/4885
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 CA1 1345/4885CA2 165/4885CA12 1452/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CA1 873/4885CA2 162/4885CA12 835/4885
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B CA1 589/4885CA2 176/4885CA12 1314/4885
US-20190241528-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CA1 873/4885CA2 162/4885CA12 835/4885

“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.