SCHEMBL829473

SCHEMBL829473

CN(C)CCCNC(=O)CCCCN1CCN(CCCCN)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
SLC6A5 Q9Y345 2/20 0.43
KDM4A O75164 1/20 0.40
HIF1A Q16665 1/20 0.40
TET2 Q6N021 1/20 0.40
DOHH Q9BU89 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
PAOX Q6QHF9 1/20 0.38

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
SCHEMBL829043 0.89 DNM1 (0.57) DNM1SMN1; SMN2TP53HRH3ALDH1A1
SCHEMBL9506009 0.87 DNM1 (0.70) DNM1SMN1; SMN2SLC6A5KDM4AHIF1A
SCHEMBL9504615 0.85 DNM1 (0.73) DNM1SMN1; SMN2SLC6A5KDM4AHIF1A
SCHEMBL862840 0.85 DNM1 (0.55) DNM1SMN1; SMN2TP53HRH3ALDH1A1
Hydrochloric Acid SCHEMBL1931188 0.84 DNM1 (0.71) DNM1SMN1; SMN2SLC6A5KDM4AHIF1A
Hydrochloric Acid SCHEMBL1930572 0.84 DNM1 (0.71) DNM1SMN1; SMN2SLC6A5KDM4AHIF1A
SCHEMBL9507687 0.82 DNM1 (0.63) DNM1SMN1; SMN2SLC6A5KDM4AHIF1A
SCHEMBL828995 0.80 DRD2 (0.51) DNM1TDP1DRD2
SCHEMBL15858234 0.79 DNM1 (0.63) DNM1SMN1; SMN2SLC6A5KDM4AHIF1A
SCHEMBL23899001 0.79 DNM1 (0.82) DNM1KDM4EPAOX

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 DNM1 715/4885SMN1; SMN2 2531/4885TP53 4696/4885

“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.