SCHEMBL966019

SCHEMBL966019

CC(C)(C)OC(=O)NCCNc1ccc(CCCCN)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.48
CA2 P00918 9/20 0.48
NAMPT P43490 1/20 0.47
MALT1 Q9UDY8 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
BCHE P06276 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
TDP1 Q9NUW8 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL22645024 0.92 NAMPT (0.49) CA1CA2NAMPTMALT1SIGMAR1
SCHEMBL937283 0.91 CA1 (0.50) CA1CA2NAMPTSIGMAR1POLB
SCHEMBL16808348 0.89 CA1 (0.55) CA1CA2NAMPTSIGMAR1POLB
SCHEMBL23099401 0.87 MALT1 (0.48) CA1CA2NAMPTMALT1BCHE
SCHEMBL937628 0.86 ESRRG (0.50) CA1CA2SIGMAR1
SCHEMBL25943313 0.86 CA1 (0.52) CA1CA2NAMPTSIGMAR1POLB
SCHEMBL936596 0.85 CA1 (0.57) CA1CA2NAMPTSIGMAR1
SCHEMBL30048842 0.85 CA2 (0.59) CA1CA2NAMPTSIGMAR1CA12
SCHEMBL26647970 0.85 NAMPT (0.48) CA1CA2NAMPTMALT1SIGMAR1
SCHEMBL938765 0.84 CA1 (0.54) CA1CA2NAMPTSIGMAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1599096-B1 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-12-24 EP 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
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 (1 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 329/4885NAMPT 943/4885

“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.