SCHEMBL829653

SCHEMBL829653

NCCCCN1CCN(CCCCC(N)=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
PAOX Q6QHF9 2/20 0.48
SIGMAR1 Q99720 3/20 0.44
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
ALOX15 P16050 2/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLG P00747 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
SLC6A2 P23975 1/20 0.41
RECQL P46063 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4042630 0.88 L3MBTL1 (0.61) L3MBTL1PAOXSIGMAR1CYP2D6ALOX15
SCHEMBL2877981 0.83 L3MBTL1 (0.72) L3MBTL1PAOXALOX15SMN1; SMN2ALDH1A1
Urea SCHEMBL11526333 0.82 KEAP1 (0.54) L3MBTL1PAOXSIGMAR1CYP2D6ALOX15
SCHEMBL4666999 0.82
SCHEMBL1615517 0.82 ALOX15 (0.61) SIGMAR1CYP2D6ALOX15KEAP1SMN1; SMN2
SCHEMBL31416857 0.82 SIGMAR1 (0.44) PAOXSIGMAR1ALOX15KEAP1SMN1; SMN2
SCHEMBL828952 0.82 CYP1A2 (0.62) PAOXSIGMAR1CYP2D6NFKB1ALOX15
SCHEMBL30479936 0.82 PAOX (0.52) L3MBTL1PAOXALOX15SMN1; SMN2ALDH1A1
SCHEMBL30479937 0.82 PAOX (0.72) L3MBTL1PAOXSIGMAR1ALOX15ALDH1A1
SCHEMBL5799141 0.81 L3MBTL1 (0.53) L3MBTL1PAOXSIGMAR1CYP2D6KEAP1

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 4 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
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

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 L3MBTL1 4594/4885PAOX 1346/4885SIGMAR1 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.