SCHEMBL828952

SCHEMBL828952

NCCCCN1CCN(CCCC(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP2D6 P10635 1/20 0.58
NFKB1 P19838 1/20 0.58
BLM P54132 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 2/20 0.56
THRB P10828 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PLG P00747 1/20 0.56
ALOX15 P16050 1/20 0.56
SLC6A2 P23975 1/20 0.56
RECQL P46063 1/20 0.56
SLC6A3 Q01959 1/20 0.56
GABRR3 A8MPY1 1/20 0.54
GABRP O00591 1/20 0.54
GABRD O14764 1/20 0.54

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
Hydrochloric Acid SCHEMBL830767 0.98 CYP1A2 (0.60) CYP1A2MAPK1SMN1; SMN2CYP2D6NFKB1
Adipic Acid SCHEMBL1228726 0.90 CYP2D6 (0.60) CYP1A2MAPK1SMN1; SMN2CYP2D6NFKB1
Adipic Acid SCHEMBL22723323 0.90 CYP2D6 (0.60) CYP1A2MAPK1SMN1; SMN2CYP2D6NFKB1
Sebacic Acid SCHEMBL10951790 0.88 LMNA (0.61) CYP1A2MAPK1SMN1; SMN2CYP2D6NFKB1
Sebacic Acid SCHEMBL10781911 0.88 LMNA (0.61) CYP1A2MAPK1SMN1; SMN2CYP2D6NFKB1
SCHEMBL8377176 0.87 CYP1A2 (0.78) CYP1A2MAPK1SMN1; SMN2NFKB1BLM
SCHEMBL8947664 0.87
SCHEMBL8380184 0.85 CYP1A2 (0.68) CYP1A2MAPK1SMN1; SMN2NFKB1LMNA
SCHEMBL26180910 0.85 CYP1A2 (0.68) CYP1A2MAPK1SMN1; SMN2NFKB1LMNA
SCHEMBL8510307 0.84 SIGMAR1 (0.47) CYP1A2MAPK1SMN1; SMN2CYP2D6NFKB1

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 CYP1A2 2550/4885MAPK1 2999/4885SMN1; SMN2 2531/4885

“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.