SCHEMBL911404

SCHEMBL911404

NCCCCc1ccc(OCCNCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.57
LTA4H P09960 4/20 0.56
S1PR3 Q99500 5/20 0.56
S1PR5 Q9H228 1/20 0.56
FFAR1 O14842 3/20 0.55
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 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
SCHEMBL11932185 0.89 S1PR1 (0.48) S1PR1LTA4HS1PR3S1PR5FFAR1
Hydrochloric Acid SCHEMBL910680 0.88 S1PR1 (0.47) S1PR1LTA4HS1PR3S1PR5FFAR1
SCHEMBL11932192 0.86 LMNA (0.58) S1PR1LTA4HS1PR3S1PR5FFAR1
SCHEMBL947760 0.81 S1PR1 (0.83) S1PR1LTA4HS1PR3S1PR5FFAR1
SCHEMBL950170 0.81 S1PR1 (0.82) S1PR1LTA4HS1PR3S1PR5FFAR1
SCHEMBL20799670 0.80 FFAR1 (0.65) S1PR1S1PR3S1PR5FFAR1ITGB3
SCHEMBL910749 0.79 ITGB3 (0.52) FFAR1ITGB3ITGA2B
SCHEMBL911463 0.78 CA12 (0.56) S1PR1LTA4HS1PR3S1PR5FFAR1
SCHEMBL11932190 0.77 ALDH1A1 (0.52) LTA4HLMNA
SCHEMBL11332779 0.76 ALOX15 (0.53) FFAR1

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 22 patents — showing the first 20. 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
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
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-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-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
EP-1922073-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2008-05-21 EP disclosed
WO-2007018640-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-02-15 WO 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
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 S1PR1 724/4885LTA4H 1302/4885S1PR3 650/4885
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 S1PR1 724/4885LTA4H 1302/4885S1PR3 650/4885
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 S1PR1 724/4885LTA4H 1302/4885S1PR3 650/4885

“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.