SCHEMBL911463

SCHEMBL911463

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.56
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
CA9 Q16790 5/20 0.56
LTA4H P09960 1/20 0.51
SUCNR1 Q9BXA5 5/20 0.51
S1PR1 P21453 6/20 0.49
S1PR3 Q99500 4/20 0.48
S1PR5 Q9H228 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
FFAR1 O14842 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL910743 0.90 MAOA (0.60) CA12CA1CA2CA9SUCNR1
SCHEMBL30521147 0.89 CA1 (0.60) CA12CA1CA2CA9SUCNR1
SCHEMBL911142 0.87 LTA4H (0.57) CA12CA1CA2CA9LTA4H
SCHEMBL917117 0.87 CA1 (0.54) CA12CA1CA2CA9SUCNR1
SCHEMBL910539 0.84 CA1 (0.62) CA12CA1CA2CA9SUCNR1
SCHEMBL21430470 0.84 CA12 (0.58) CA12CA1CA2CA9LTA4H
SCHEMBL5015557 0.84 CA1 (0.59) CA12CA1CA2CA9SUCNR1
SCHEMBL8474870 0.83 CA12 (0.60) CA12CA1CA2CA9SUCNR1
SCHEMBL3174253 0.83 CA1 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL911294 0.83 SUCNR1 (0.54) CA12CA1CA2CA9SUCNR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-08-30 US disclosed
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-08-30 US disclosed
US-8211895-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-03 US disclosed
US-8211895-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-03 US disclosed
US-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-01-06 US disclosed
US-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-01-06 US disclosed
US-7807834-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-05 US disclosed
US-7807834-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-05 US disclosed
US-7807834-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-05 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 CA12 1452/4885CA1 1345/4885CA2 165/4885
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 CA12 1452/4885CA1 1345/4885CA2 165/4885
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 CA12 1452/4885CA1 1345/4885CA2 165/4885

“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.