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SCHEMBL828909

SCHEMBL828909

CC(C)(C)OC(=O)NCCCCN1CCN(CCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.64
▸ NR2F2 P24468 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ DRD2 P14416 9/20 0.52
▸ ACKR3 P25106 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ BCHE P06276 1/20 0.44

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
SCHEMBL1929294 0.91 NR2F2 (0.60) SIGMAR1NR2F2RAB9AALDH1A1TDP1
SCHEMBL1930614 0.91 NR2F2 (0.60) SIGMAR1NR2F2RAB9AALDH1A1TDP1
SCHEMBL18482226 0.87 SIGMAR1 (0.62) SIGMAR1NR2F2RAB9ADRD2TDP1
SCHEMBL17742668 0.85 SIGMAR1 (0.58) SIGMAR1NR2F2RAB9AALDH1A1DRD2
SCHEMBL3524057 0.83 DRD2 (0.66) SIGMAR1DRD2TDP1
SCHEMBL13799649 0.83 SIGMAR1 (0.65) SIGMAR1NR2F2RAB9AALDH1A1DRD2
SCHEMBL829444 0.82 DRD2 (0.58) SIGMAR1DRD2TDP1
SCHEMBL829020 0.82 DRD2 (0.58) SIGMAR1DRD2TDP1
SCHEMBL4422293 0.82 SIGMAR1 (0.55) SIGMAR1NR2F2RAB9AALDH1A1TDP1
SCHEMBL23775760 0.81 SIGMAR1 (0.63) SIGMAR1NR2F2RAB9AALDH1A1DRD2

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 963/4885NR2F2 4565/4885RAB9A 1526/4885

“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.