SCHEMBL828979

SCHEMBL828979

CC(C)(C)OC(=O)NCCCCN1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.66
DRD2 P14416 9/20 0.59
ACKR3 P25106 2/20 0.52
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 1/20 0.48
MAPT P10636 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48

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
SCHEMBL23673811 0.99 SIGMAR1 (0.64) SIGMAR1DRD2ACKR3CA1CA2
SCHEMBL25374458 0.97 SIGMAR1 (0.67) SIGMAR1DRD2ACKR3CA1CA2
SCHEMBL22151422 0.93 SIGMAR1 (0.62) SIGMAR1DRD2ACKR3CA1CA2
SCHEMBL514343 0.93 SIGMAR1 (0.61) SIGMAR1DRD2ACKR3CA1CA2
SCHEMBL29132278 0.92 SIGMAR1 (0.57) SIGMAR1DRD2ACKR3KEAP1NFE2L2
SCHEMBL18751224 0.91 SIGMAR1 (0.59) SIGMAR1DRD2ACKR3MAPTKEAP1
SCHEMBL30091901 0.90 SIGMAR1 (0.59) SIGMAR1DRD2ACKR3CA1CA2
SCHEMBL23728664 0.89 SIGMAR1 (0.58) SIGMAR1DRD2ACKR3CA1CA2
SCHEMBL6220780 0.88 SIGMAR1 (0.61) SIGMAR1DRD2ACKR3MAPTKEAP1
SCHEMBL30750666 0.88 SIGMAR1 (0.61) SIGMAR1DRD2ACKR3MAPTKEAP1

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 SIGMAR1 963/4885DRD2 1834/4885ACKR3 908/4885

“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.