SCHEMBL2331246

SCHEMBL2331246

NCCCCc1ccccc1OCC(O)CO

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.56
ADRB1 P08588 11/20 0.56
CYP1A2 P05177 3/20 0.53
KDM4E B2RXH2 2/20 0.53
AGTR1 P30556 1/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
SCNN1A P37088 1/20 0.47

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
SCHEMBL2328945 1.00 ADRB2 (0.56) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL2361312 1.00 ADRB2 (0.56) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL6432354 0.84 ADRB2 (0.61) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL709198 0.83 CYP1A2 (0.52) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL21221616 0.82 TSHR (0.43) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL27867852 0.80 CYP1A2 (0.61) ADRB2ADRB1CYP1A2KDM4EAGTR1
SCHEMBL764884 0.79 ADRB2 (0.55) ADRB2ADRB1LMNA
SCHEMBL11879638 0.78 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL765334 0.78 ADRB2 (0.51) ADRB2ADRB1CYP1A2KDM4ELMNA
SCHEMBL764163 0.78 ADRB2 (0.51) ADRB2ADRB1CYP1A2KDM4ELMNA

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 ADRB2 173/4885ADRB1 183/4885CYP1A2 2573/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G ADRB2 337/4885ADRB1 291/4885CYP1A2 1992/4885
US-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ADRB2 173/4885ADRB1 183/4885CYP1A2 2573/4885
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 ADRB2 159/4885ADRB1 254/4885CYP1A2 1516/4885
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents ADRB2, ADRB3, ADRA1D ADRB2 1/4885ADRB1 4/4885CYP1A2 1449/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ADRB2 173/4885ADRB1 183/4885CYP1A2 2573/4885
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 ADRB2 239/4885ADRB1 304/4885CYP1A2 3240/4885
US-20040198749-A1 Broncholdilator agents; hydration of mucous membranes; respiratory system disorders AQP1, TRPV1, AQP3 ADRB2 106/4885ADRB1 161/4885CYP1A2 2742/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ADRB2 173/4885ADRB1 183/4885CYP1A2 2573/4885
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 ADRB2 202/4885ADRB1 485/4885CYP1A2 1223/4885
US-20040198748-A1 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders HRH4, HRH2, HRH1 ADRB2 16/4885ADRB1 19/4885CYP1A2 1105/4885
US-20190241528-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ADRB2 173/4885ADRB1 183/4885CYP1A2 2573/4885

“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.