SCHEMBL829612

SCHEMBL829612

CC(C)(C)OC(=O)NCCCCN1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.56
TDP1 Q9NUW8 1/20 0.53
SIGMAR1 Q99720 3/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL24913972 0.99 DRD2 (0.57) DRD2TDP1SIGMAR1MAOAMAOB
SCHEMBL14873885 0.96 DRD2 (0.55) DRD2TDP1SIGMAR1MEN1KMT2A
SCHEMBL22783652 0.93 DRD2 (0.56) DRD2TDP1SIGMAR1MEN1KMT2A
SCHEMBL17805291 0.92 DRD2 (0.52) DRD2TDP1SIGMAR1MEN1KMT2A
SCHEMBL25128846 0.91 DRD2 (0.51) DRD2TDP1SIGMAR1MEN1KMT2A
SCHEMBL21465932 0.90 DRD2 (0.53) DRD2TDP1SIGMAR1MAOAMAOB
SCHEMBL22783648 0.90 DRD2 (0.52) DRD2TDP1SIGMAR1MEN1KMT2A
SCHEMBL513795 0.90 MEN1 (0.55) DRD2TDP1SIGMAR1MEN1KMT2A
SCHEMBL31301221 0.88 DRD2 (0.55) DRD2TDP1SIGMAR1MEN1KMT2A
SCHEMBL3524057 0.88 DRD2 (0.66) DRD2TDP1SIGMAR1MAOAMAOB

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 1834/4885TDP1 4390/4885SIGMAR1 963/4885

“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.