SCHEMBL6034052

SCHEMBL6034052

Fc1cc(OCCN2CCOCC2)c(F)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
KDM4E B2RXH2 3/20 0.51
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SYK P43405 1/20 0.47
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
MAOB P27338 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL6034267 0.87 LTA4H (0.52) KDM4ETSHRALDH1A1HTTDRD1
SCHEMBL6595968 0.83 SIGMAR1 (0.42) KDM4EALDH1A1MAPT
SCHEMBL31539648 0.82 ALDH1A1 (0.59) POLBKDM4ETSHRALDH1A1MAPT
SCHEMBL2671540 0.82 ALDH1A1 (0.62) POLBKDM4ETSHRALDH1A1MAPT
SCHEMBL538618 0.79 ALDH1A1 (0.60) KDM4ETSHRALDH1A1
SCHEMBL6035299 0.79 HTR1B (0.47) POLBKDM4EALDH1A1MAPTHTT
SCHEMBL573096 0.78 CYP1A2 (0.56) POLBKDM4ETSHRALDH1A1MAPT
SCHEMBL25379830 0.77 POLB (0.49) POLBKDM4ETSHRALDH1A1MAPT
SCHEMBL13855801 0.76 POLB (0.59) POLBKDM4ETSHRALDH1A1SYK
SCHEMBL2718979 0.76 KDM4E (0.57) POLBKDM4ETSHRALDH1A1MAPT

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 POLB 2675/4885KDM4E 1319/4885TSHR 898/4885

“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.