SCHEMBL829020

SCHEMBL829020

CC(C)(C)OC(=O)NCCCCN1CCN(CCCCC(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.58
SIGMAR1 Q99720 3/20 0.56
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
CACNA1H O95180 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 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
SCHEMBL30737000 0.94 CACNA1H (0.54) DRD2SIGMAR1TDP1MEN1GAA
SCHEMBL3524057 0.90 DRD2 (0.66) DRD2SIGMAR1TDP1MEN1GAA
SCHEMBL829444 0.89 DRD2 (0.58) DRD2SIGMAR1TDP1MEN1GAA
SCHEMBL31465614 0.88 DRD2 (0.58) DRD2SIGMAR1TDP1MEN1GAA
SCHEMBL8254760 0.87 DRD2 (0.64) DRD2SIGMAR1TDP1MEN1GAA
SCHEMBL904074 0.87 TDP1 (0.66) TDP1MEN1GAAKMT2ACHRM2
SCHEMBL29263630 0.86 DRD2 (0.62) DRD2SIGMAR1TDP1MEN1GAA
SCHEMBL826329 0.85 TDP1 (0.69) TDP1MEN1GAAKMT2ACHRM2
SCHEMBL826376 0.85 TDP1 (0.69) TDP1MEN1GAAKMT2ACHRM2
SCHEMBL22276602 0.85 TDP1 (0.69) TDP1MEN1GAAKMT2ACHRM2

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-8143256-B2 5-(4-{4-[A7-(3,5-diamino-6-chloropyrazine-2 carbonyl)guanadio]butyl}-piperazin-1-yl)pentanoic acid (3-dimethylaminopropyl) amide; hydration of mucosal surfaces; Chronic bronchitis; cystic fibrosis; more potent; absorbed slower; target kidney in treating cardiovascular disease; diuretics PARION SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143256-B2 5-(4-{4-[A7-(3,5-diamino-6-chloropyrazine-2 carbonyl)guanadio]butyl}-piperazin-1-yl)pentanoic acid (3-dimethylaminopropyl) amide; hydration of mucosal surfaces; Chronic bronchitis; cystic fibrosis; more potent; absorbed slower; target kidney in treating cardiovascular disease; diuretics PARION SCIENCES, INC. (US) 2012-03-27 US disclosed
EP-1789049-A4 CYCLIC AMIDE AND ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2009-07-22 EP disclosed
US-20080096896-A1 Cyclic Amide & Ester Pyrazinoylganidine Sodium Channel Blockers PARION SCIENCES, INC. (US) 2008-04-24 US disclosed
US-20080096896-A1 Cyclic Amide & Ester Pyrazinoylganidine Sodium Channel Blockers PARION SCIENCES, INC. (US) 2008-04-24 US disclosed
EP-1789049-A2 CYCLIC AMIDE AND ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Johnson, Michael R. (US) 2007-05-30 EP disclosed
WO-2006023617-A2 CYCLIC AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2006-03-02 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-20080096896-A1 Cyclic Amide & Ester Pyrazinoylganidine Sodium Channel Blockers HCN4, CACNA1B, SCN5A DRD2 1834/4885SIGMAR1 963/4885TDP1 4390/4885

“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.