SCHEMBL938595

SCHEMBL938595

CCOC(=O)CCCNc1ccc(CCCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
PTPRB P23467 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
NAMPT P43490 1/20 0.44
CYP4Z1 Q86W10 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
CYP4F11 Q9HBI6 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
SCHEMBL938765 0.86 CA1 (0.54) CA1CA2SIGMAR1NAMPTPOLB
SCHEMBL937283 0.82 CA1 (0.50) CA1CA2SIGMAR1NAMPTPOLB
SCHEMBL572949 0.81 TDP1 (0.56) CA1CA2ALDH1A1TPSAB1TPSD1
SCHEMBL26647970 0.81 NAMPT (0.48) CA1CA2PTPRBSIGMAR1NAMPT
SCHEMBL9891446 0.80 FAAH (0.47) ALDH1A1
SCHEMBL4495406 0.80 CYP4F2 (0.56) CA1CA2PTPRBNAMPTCYP4Z1
SCHEMBL4592870 0.80 CYP4A11 (0.56) CYP4Z1ALDH1A1CYP4F11CYP4F12POLB
SCHEMBL25095054 0.79 TDP1 (0.58) CA1CA2NAMPTALDH1A1TPSAB1
SCHEMBL11240378 0.79 CYP4Z1 (0.52) CYP4Z1ALDH1A1CYP4F11CYP4F12GAA
SCHEMBL19133491 0.79 STK17B (0.48) CA1CA2PTPRBNAMPTPOLB

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
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-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-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
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
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
US-7875619-B2 N-[4-(4-{2-[bis-((2S,3R)-2,3,4-trihydroxybutyl)amino]ethylamino}phenyl)butyl]-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine trihydrochloride; treating chronic bronchitis, cystic fibrosis, ventilator-induced pneumonia, asthma, chronic obstructive pulmonary disease, pneumonia and emphysema PARION SCIENCES, INC. (US) 2011-01-25 US disclosed
US-7875619-B2 N-[4-(4-{2-[bis-((2S,3R)-2,3,4-trihydroxybutyl)amino]ethylamino}phenyl)butyl]-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine trihydrochloride; treating chronic bronchitis, cystic fibrosis, ventilator-induced pneumonia, asthma, chronic obstructive pulmonary disease, pneumonia and emphysema PARION SCIENCES, INC. (US) 2011-01-25 US disclosed
US-7875619-B2 N-[4-(4-{2-[bis-((2S,3R)-2,3,4-trihydroxybutyl)amino]ethylamino}phenyl)butyl]-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine trihydrochloride; treating chronic bronchitis, cystic fibrosis, ventilator-induced pneumonia, asthma, chronic obstructive pulmonary disease, pneumonia and emphysema PARION SCIENCES, INC. (US) 2011-01-25 US disclosed
US-7842697-B2 Soluble amide and ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-11-30 US disclosed
US-7399766-B2 Soluble amide & ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-07-15 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
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
US-20060142581-A1 Hetero substitued sodium channel blockers PARION SCIENCES, INC. (US) 2006-06-29 US disclosed
EP-1599096-A4 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-03-22 EP 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-1599096-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2005-11-30 EP disclosed
WO-2004073629-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2004-09-02 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 (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-20060142581-A1 Hetero substitued sodium channel blockers SCN2B, CACNA1B, CACNA1G CA1 2788/4885CA2 329/4885PTPRB 870/4885
US-20060040954-A1 Soluble amide & ester pyrazinoylguanidine sodium channel blockers SCN2A, CACNA1B, HCN4 CA1 1101/4885CA2 187/4885PTPRB 1818/4885
US-20070021439-A1 Methods of reducing risk of infection from pathogens with soluble amide and ester pyrazinoylguanidine sodium channel blockers KCNN2, KCNN1, KCNN3 CA1 1402/4885CA2 217/4885PTPRB 2809/4885

“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.