SCHEMBL874547

SCHEMBL874547

CN(C)CCOc1ccc(CCCCN)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.70
KEAP1 Q14145 1/20 0.68
NFE2L2 Q16236 1/20 0.68
LTA4H P09960 2/20 0.55
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10661125 0.89 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL23928219 0.88 HRH3 (0.77) HRH3KEAP1NFE2L2LTA4HKCNH2
Hydrochloric Acid SCHEMBL30876469 0.87 HRH3 (0.74) HRH3KEAP1NFE2L2LTA4HKCNH2
SCHEMBL10662153 0.87 HRH3 (0.77) HRH3KEAP1NFE2L2LTA4HKCNH2
SCHEMBL873480 0.84 CYP1A2 (0.57) HRH3KEAP1NFE2L2LTA4HKCNH2
SCHEMBL28595265 0.84 HRH3 (0.70) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL19026551 0.83 HRH3 (0.77) HRH3KEAP1NFE2L2LTA4HKDM4E
SCHEMBL874146 0.83 HRH3 (0.74) HRH3KEAP1NFE2L2LTA4HKCNH2
SCHEMBL16804688 0.83 KCNH2 (0.59) LTA4HKCNH2
SCHEMBL16804694 0.83 KCNH2 (0.63) HRH3LTA4HKCNH2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO 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-7820678-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-26 US disclosed
EP-1599096-B1 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-12-24 EP disclosed
US-20080076782-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-03-27 US disclosed
US-7345044-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2008-03-18 US disclosed
US-20060142581-A1 Hetero substitued sodium channel blockers PARION SCIENCES, INC. (US) 2006-06-29 US disclosed
US-7030117-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2006-04-18 US disclosed
US-7026325-B2 Sodium channel blockers PARION-SCIENCES, INC. (US) 2006-04-11 US disclosed
US-20060063780-A1 Sodium channel blockers JOHNSON MICHAEL R 2006-03-23 US disclosed
EP-1599096-A4 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-03-22 EP disclosed
US-6995160-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2006-02-07 US disclosed
EP-1599096-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2005-11-30 EP disclosed
US-6903105-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-06-07 US disclosed
US-20050113389-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
US-20050113388-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
US-20050113390-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
WO-2004073629-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2004-09-02 WO disclosed
US-20040162296-A1 Sodium channel blockers PARION SCIENCES, INC. 2004-08-19 US 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 (7 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 HRH3 963/4885KEAP1 3183/4885NFE2L2 2469/4885
US-20050113390-A1 Sodium channel blockers HCN4, SCN2B, SCN5A HRH3 1516/4885KEAP1 1076/4885NFE2L2 3712/4885
US-20050113389-A1 Sodium channel blockers HCN4, SCN2B, SCN5A HRH3 1516/4885KEAP1 1076/4885NFE2L2 3712/4885
US-20080076782-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A HRH3 1516/4885KEAP1 1076/4885NFE2L2 3712/4885
US-20050113388-A1 Sodium channel blockers HCN4, SCN2B, SCN5A HRH3 1516/4885KEAP1 1076/4885NFE2L2 3712/4885
US-20040162296-A1 Sodium channel blockers HCN4, SCN2B, SCN5A HRH3 1516/4885KEAP1 1076/4885NFE2L2 3712/4885
US-20060063780-A1 Sodium channel blockers HCN4, SCN2B, SCN5A HRH3 1516/4885KEAP1 1076/4885NFE2L2 3712/4885

“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.