SCHEMBL4057672

SCHEMBL4057672

CN(C)C1CCN(Cc2ccc(Cl)[n+]([O-])c2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
HDAC1 Q13547 1/20 0.41
JAK2 O60674 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
NSD2 O96028 1/20 0.38
KDM1A O60341 1/20 0.37
GRM2 Q14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
NMT1 P30419 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 1/20 0.36
MAP4K4 O95819 2/20 0.36
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MELK Q14680 1/20 0.36

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
SCHEMBL10288535 0.81 LTA4H (0.55) LTA4HHDAC1JAK2HRH3GRM2
SCHEMBL4056900 0.80 HRH3 (0.59) HRH3PARP1
SCHEMBL4057677 0.78 HRH3 (0.46) HRH3
SCHEMBL5193010 0.78 LTA4H (0.55) LTA4HHDAC1JAK2
SCHEMBL4591511 0.78 LTA4H (0.55) LTA4HHDAC1JAK2
SCHEMBL14924455 0.78 LTA4H (0.55) LTA4HHDAC1JAK2HRH3HRH1
SCHEMBL18516568 0.78 LTA4H (0.55) LTA4HHDAC1JAK2HRH3HRH1
SCHEMBL5951343 0.78 LTA4H (0.55) LTA4HHDAC1JAK2
SCHEMBL14924041 0.77 LTA4H (0.52) LTA4HHDAC1JAK2HRH3HTR2A
SCHEMBL28626109 0.76 LTA4H (0.54) LTA4HHDAC1JAK2HRH3GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 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 (2 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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 LTA4H 160/4885HDAC1 599/4885JAK2 1403/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 LTA4H 229/4885HDAC1 774/4885JAK2 1315/4885

“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.