SCHEMBL6034033

SCHEMBL6034033

O=C(O)N1CCN(CCOc2ccc(Br)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.64
RAB9A P51151 2/20 0.61
LTA4H P09960 2/20 0.60
PTGS2 P35354 1/20 0.60
HRH2 P25021 1/20 0.58
HRH1 P35367 1/20 0.58
DRD3 P35462 6/20 0.58
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
DRD2 P14416 2/20 0.56

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
SCHEMBL23301248 0.85 KCNA5 (0.58) KCNA5LTA4HDRD3KDM4EDRD2
SCHEMBL19462784 0.85 DRD3 (0.79) KCNA5DRD3DRD2
SCHEMBL3972559 0.85 KCNA5 (0.64) KCNA5LTA4HHRH2HRH1DRD3
SCHEMBL5480208 0.85 KCNA5 (0.74) KCNA5LTA4HPTGS2HRH2HRH1
SCHEMBL2233062 0.81 HRH3 (0.56) RAB9AKDM4ESMN1; SMN2
SCHEMBL6034847 0.81 HRH2 (0.61) KCNA5RAB9ALTA4HPTGS2HRH2
SCHEMBL23303045 0.81 HRH2 (0.60) KCNA5RAB9ALTA4HHRH2HRH1
SCHEMBL16795305 0.81 HRH3 (0.72) LTA4HKDM4E
SCHEMBL14204558 0.81 LTA4H (0.62) KCNA5LTA4HPTGS2DRD3KDM4E
SCHEMBL26690637 0.81 HTR1B (0.48) KCNA5RAB9ALTA4HHRH2HRH1

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 KCNA5 1588/4885RAB9A 859/4885LTA4H 3363/4885

“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.