SCHEMBL6034728

SCHEMBL6034728

Nc1cncc(CCCN2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.46
DRD2 P14416 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LTA4H P09960 1/20 0.44
HRH3 Q9Y5N1 7/20 0.42
HRH4 Q9H3N8 6/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH1 P35367 4/20 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
SCHEMBL529621 0.90 HRH3 (0.51) SIGMAR1SLC6A3HRH3TDP1L3MBTL1
SCHEMBL18474495 0.81 L3MBTL1 (0.50) SIGMAR1DRD2SLC6A4SLC6A3LTA4H
SCHEMBL22236005 0.78 ALDH1A1 (0.55) HRH3HRH4TDP1
SCHEMBL3218005 0.75 SIGMAR1 (0.75) SIGMAR1DRD2SLC6A4SLC6A3LTA4H
SCHEMBL15884438 0.75 HRH3 (0.50) LTA4HHRH3L3MBTL1
SCHEMBL3216167 0.74 SIGMAR1 (0.73) SIGMAR1DRD2SLC6A4SLC6A3LTA4H
SCHEMBL3933570 0.73 HRH4 (0.39) SIGMAR1DRD2SLC6A4SLC6A3LTA4H
Hydrochloric Acid SCHEMBL6965669 0.73 SIGMAR1 (0.68) SIGMAR1DRD2LTA4HHRH3L3MBTL1
SCHEMBL7452098 0.72 CHRNB2 (0.65) SIGMAR1DRD2SLC6A4SLC6A3LTA4H
SCHEMBL22557523 0.72 ALDH1A1 (0.38)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL SIGMAR1 289/4885DRD2 2100/4885SLC6A4 1669/4885

“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.