SCHEMBL2329302

SCHEMBL2329302

O=C(NCCCCc1ccccc1OCC(O)CO)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.54
ADRB1 P08588 10/20 0.54
HTT P42858 1/20 0.50
TGM2 P21980 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL3802473 1.00 ADRB2 (0.54) ADRB2ADRB1HTTTGM2DPP8
SCHEMBL3800914 1.00 ADRB2 (0.54) ADRB2ADRB1HTTTGM2DPP8
SCHEMBL707615 0.88 HTT (0.46) ADRB2ADRB1HTTTGM2DPP8
SCHEMBL2332859 0.84 MAPT (0.53) ADRB2ADRB1HTTTGM2DPP8
SCHEMBL3803902 0.81 HTT (0.48) ADRB2ADRB1HTTTGM2DPP8
SCHEMBL918030 0.81 MAPT (0.49) ADRB2ADRB1HTTTGM2DPP8
SCHEMBL22171710 0.79 HTT (0.62) HTTTGM2DPP8DPP7KEAP1
SCHEMBL8273356 0.78 HTT (0.52) ADRB2HTTTGM2DPP8DPP7
SCHEMBL4618949 0.78 HTT (0.63) HTTTGM2DPP8DPP7KEAP1
SCHEMBL30829573 0.78 TGM2 (0.57) HTTTGM2DPP8DPP7KEAP1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100144661-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2010-06-10 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
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 183/4885HTT 915/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G ADRB2 337/4885ADRB1 291/4885HTT 1892/4885
US-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ADRB2 173/4885ADRB1 183/4885HTT 915/4885
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 254/4885HTT 2338/4885
US-20060142306-A1 Bronchodilator agents; respiratory system disorders; skin disorders ; asthma; hypotensive agents ADRB2, ADRB3, ADRA1D ADRB2 1/4885ADRB1 4/4885HTT 2060/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ADRB2 173/4885ADRB1 183/4885HTT 915/4885
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 304/4885HTT 1136/4885
US-20040198749-A1 Broncholdilator agents; hydration of mucous membranes; respiratory system disorders AQP1, TRPV1, AQP3 ADRB2 106/4885ADRB1 161/4885HTT 2103/4885
US-20100144661-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN5A, SCN2B ADRB2 150/4885ADRB1 180/4885HTT 1106/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ADRB2 173/4885ADRB1 183/4885HTT 915/4885
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 485/4885HTT 3069/4885
US-20040198748-A1 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders HRH4, HRH2, HRH1 ADRB2 16/4885ADRB1 19/4885HTT 1936/4885

“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.