SCHEMBL2335254

SCHEMBL2335254

NCCCCc1cccc(OCCO)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.50
▸ CYP4A11 Q02928 1/20 0.50
▸ GLS O94925 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ PPARA Q07869 3/20 0.46
▸ PPARG P37231 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ SCNN1A P37088 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ CYP2D6 P10635 2/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ ACHE P22303 1/20 0.41

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
SCHEMBL2206860 0.95 CYP4F2 (0.51) CYP4F2CYP4A11GLSTAAR1PPARA
SCHEMBL29818682 0.89 CYP4F2 (0.51) CYP4F2CYP4A11TAAR1PPARAPPARG
SCHEMBL2204526 0.89 CYP4F2 (0.51) CYP4F2CYP4A11TAAR1PPARAPPARG
SCHEMBL19291638 0.89 TAAR1 (0.59) CYP4F2CYP4A11TAAR1ALDH1A1RECQL
SCHEMBL4341923 0.89 CYP4F2 (0.57) CYP4F2CYP4A11GLSPPARAPPARG
SCHEMBL611426 0.88 CYP4F2 (0.50) CYP4F2CYP4A11TAAR1PPARAPPARG
SCHEMBL2203546 0.88 CYP4F2 (0.50) CYP4F2CYP4A11TAAR1PPARAPPARG
SCHEMBL20945397 0.87 CYP4F2 (0.53) CYP4F2CYP4A11GLSPPARAPPARG
SCHEMBL2205041 0.86 CYP4F2 (0.49) CYP4F2CYP4A11TAAR1PPARAPPARG
SCHEMBL29818925 0.86 CYP4F2 (0.49) CYP4F2CYP4A11TAAR1PPARAPPARG

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 28 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-8227474-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-24 — — US disclosed
US-8198286-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-06-12 — — US disclosed
EP-1485360-B1 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2011-08-17 — — EP 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
US-6858615-B2 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; 2,6-diaminopyrazine derivatives PARION SCIENCES, INC. (US) 2005-02-22 — — US disclosed
EP-1485360-A2 SODIUM CHANNEL BLOCKERS Johnson, Michael R. (US) 2004-12-15 — — EP disclosed
US-20040229884-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; long half-life on mucosal surfaces; pyrazinoylguanidine derivatives PARION SCIENCES, INC. 2004-11-18 — — US disclosed
US-20040204425-A1 Such as 4-(4-hydroxyphenyl)butylamidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride; time-release agents; for therapy of chronic bronchitis, emphysema, cystic fibrosis, and eye disorders PARION SCIENCES, INC. (US) 2004-10-14 — — US disclosed
US-20040198749-A1 Broncholdilator agents; hydration of mucous membranes; respiratory system disorders PARION SCIENCES, INC. 2004-10-07 — — US disclosed
US-20040198748-A1 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders PARION SCIENCES, INC. 2004-10-07 — — US disclosed
US-20030199456-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; 2,6-diaminopyrazine derivatives CYFI, INC. (US) 2003-10-23 — — US 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 (12 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 CYP4F2 4098/4885CYP4A11 1954/4885GLS 2449/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G CYP4F2 2670/4885CYP4A11 2080/4885GLS 1126/4885
US-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CYP4F2 4098/4885CYP4A11 1954/4885GLS 2449/4885
US-20040229884-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; long half-life on mucosal surfaces; pyrazinoylguanidine derivatives SCNN1B, KCNN2, SCNN1G CYP4F2 2205/4885CYP4A11 1478/4885GLS 1302/4885
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents ADRB2, ADRB3, ADRA1D CYP4F2 3763/4885CYP4A11 1257/4885GLS 2612/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CYP4F2 4098/4885CYP4A11 1954/4885GLS 2449/4885
US-20040204425-A1 Such as 4-(4-hydroxyphenyl)butylamidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride; time-release agents; for therapy of chronic bronchitis, emphysema, cystic fibrosis, and eye disorders CFTR, TRPC4, TRPC5 CYP4F2 3689/4885CYP4A11 1887/4885GLS 1783/4885
US-20040198749-A1 Broncholdilator agents; hydration of mucous membranes; respiratory system disorders AQP1, TRPV1, AQP3 CYP4F2 4108/4885CYP4A11 3337/4885GLS 1779/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CYP4F2 4098/4885CYP4A11 1954/4885GLS 2449/4885
US-20030199456-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; 2,6-diaminopyrazine derivatives SCNN1B, KCNN2, KCNN1 CYP4F2 1397/4885CYP4A11 1126/4885GLS 2148/4885
US-20040198748-A1 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders HRH4, HRH2, HRH1 CYP4F2 2273/4885CYP4A11 1563/4885GLS 4640/4885
US-20190241528-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CYP4F2 4098/4885CYP4A11 1954/4885GLS 2449/4885

“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.

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