SCHEMBL829119

SCHEMBL829119

NCCCCN1CCN(CCCCC(=O)N2CCNCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 1/20 0.42
KDM1A O60341 1/20 0.42
GNAI3 P08754 4/20 0.40
GNAO1 P09471 4/20 0.40
GNAI1 P63096 4/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
PAOX Q6QHF9 1/20 0.39
ATM Q13315 1/20 0.39
CACNA1G O43497 2/20 0.38
RAD52 P43351 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
SCHEMBL23471162 0.90 ALDH1A1 (0.48) SIGMAR1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL1775569 0.89 GNAI3 (0.49) ALDH1A1GNAI3GNAO1GNAI1ITGB3
Hydrochloric Acid SCHEMBL1930351 0.87 GNAI3 (0.51) ALDH1A1GNAI3GNAO1GNAI1ITGB3
Hydrochloric Acid SCHEMBL1931088 0.87 GNAI3 (0.51) ALDH1A1GNAI3GNAO1GNAI1ITGB3
SCHEMBL30734427 0.85 ATM (0.48) SIGMAR1ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL25504367 0.80 GNAI3 (0.60) SIGMAR1HTR1AHTR7GNAI3GNAO1
SCHEMBL14540476 0.80 ATM (0.46) ALDH1A1GNAI3GNAO1GNAI1ITGB3
SCHEMBL16756662 0.79 GNAI3 (0.56) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL15065195 0.79 CXCR4 (0.55) SIGMAR1
SCHEMBL9415769 0.79 GNAI3 (0.56) GNAI3GNAO1GNAI1ITGB3ITGA2B

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 SIGMAR1 963/4885HTR1A 1653/4885HTR7 2848/4885

“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.