SCHEMBL6034080

SCHEMBL6034080

Nc1cnccc1CCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AOC1 P19801 2/20 0.47
AOC3 Q16853 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
SIGMAR1 Q99720 2/20 0.42
HRH4 Q9H3N8 5/20 0.41
HRH1 P35367 3/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL6034963 0.90 HRH3 (0.54) HRH3TDP1L3MBTL1AOC1AOC3
SCHEMBL6034811 0.80 AOC1 (0.53) HRH3TDP1L3MBTL1AOC1AOC3
SCHEMBL29939247 0.80 AOC1 (0.53) HRH3TDP1L3MBTL1AOC1AOC3
SCHEMBL14875584 0.79 CACNA1B (0.52) HRH3TDP1L3MBTL1AOC1AOC3
SCHEMBL6034796 0.74 CHRNA7 (0.42) HRH3TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL4793724 0.73 HRH3 (0.79) HRH3TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL3873265 0.72 EHMT2 (0.44) HRH3TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL294034 0.71 AOC1 (0.55) TDP1L3MBTL1AOC1AOC3CYP1A2
SCHEMBL11337893 0.71 SIGMAR1 (0.60) HRH3SIGMAR1HRH1LTA4H
SCHEMBL28900212 0.71 SIGMAR1 (0.51) HRH3SIGMAR1LTA4H

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 HRH3 102/4885TDP1 1566/4885L3MBTL1 2143/4885

“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.