SCHEMBL2292200

SCHEMBL2292200

CCOC(=O)COc1ccc(CCCCN)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55
GAA P10253 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PLA2G4A P47712 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL25943149 0.96 PPARA (0.52) PPARAPPARGGAANPSR1KDM4E
Hydrochloric Acid SCHEMBL28797126 0.94 GAA (0.55) PPARAPPARGGAANPSR1KDM4E
SCHEMBL8554090 0.90 GAA (0.59) PPARAPPARGGAANPSR1KDM4E
Hydrochloric Acid SCHEMBL6981890 0.88 GAA (0.57) PPARAPPARGGAANPSR1KDM4E
SCHEMBL12869146 0.88 PPARA (0.69) PPARAPPARGGAANPSR1PLA2G4A
SCHEMBL15922116 0.87 PPARA (0.71) PPARAPPARGGAANPSR1ALDH1A1
SCHEMBL28405319 0.87 PPARA (0.71) PPARAPPARGGAANPSR1ALDH1A1
SCHEMBL11817150 0.87 PPARA (0.63) PPARAPPARGGAANPSR1KDM4E
SCHEMBL12419500 0.85 ALDH1A1 (0.48) ALDH1A1MAPT
SCHEMBL13508337 0.85 GAA (0.57) PPARAPPARGGAANPSR1KDM4E

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 30 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-20130012692-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2013-01-10 US disclosed
US-8198286-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8022210-B2 3-Aminopyrazine-2-carbonylguanidine derivatives; (4-{4-[N'-(3,5-Diamino-6-chloropyrazine-2-carbonyl)guanidino]butyl}phenoxy)acetic acid 2-piperidin-1-yl-ethyl ester; hydration of mucous membranes; respiratory system and gastrointestinal disorders; skin, eye and vaginal dryness; hypotensive agents; asthma PARION SCIENCES, INC. (US) 2011-09-20 US disclosed
US-8008494-B2 2-(4-{4-[N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidino]-butyl}phenoxy)-N-(3-dimethylaminopropyl)acetamide dimethanesulfonate; promoting hydration of mucosal surfaces; Sjogren's disease, esophagitis, pneumonia, asthma, otitis, constipation, chronic diverticulitis, rhinosinusitis PARION SCIENCES, INC. (US) 2011-08-30 US disclosed
WO-2008030217-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS WITH SOLUBLE AMIDE AND ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-03-13 WO disclosed
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-11-15 US disclosed
EP-1786426-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2007-05-23 EP disclosed
US-20070021439-A1 Methods of reducing risk of infection from pathogens with soluble amide and ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. 2007-01-25 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
WO-2006022935-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2006-03-02 WO disclosed
US-20060040954-A1 Soluble amide & ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2006-02-23 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 PPARA 3375/4885PPARG 4282/4885GAA 2531/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G PPARA 2857/4885PPARG 2793/4885GAA 1010/4885
US-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A PPARA 3375/4885PPARG 4282/4885GAA 2531/4885
US-20060040954-A1 Soluble amide & ester pyrazinoylguanidine sodium channel blockers SCN2A, CACNA1B, HCN4 PPARA 841/4885PPARG 1926/4885GAA 1950/4885
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B PPARA 4398/4885PPARG 4635/4885GAA 3926/4885
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents ADRB2, ADRB3, ADRA1D PPARA 2053/4885PPARG 3388/4885GAA 2347/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A PPARA 3375/4885PPARG 4282/4885GAA 2531/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A PPARA 3375/4885PPARG 4282/4885GAA 2531/4885
US-20070021439-A1 Methods of reducing risk of infection from pathogens with soluble amide and ester pyrazinoylguanidine sodium channel blockers KCNN2, KCNN1, KCNN3 PPARA 257/4885PPARG 892/4885GAA 1318/4885
US-20190241528-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A PPARA 3375/4885PPARG 4282/4885GAA 2531/4885

“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.