SCHEMBL4066568

SCHEMBL4066568

[O-][n+]1cc(CN2CCN(c3ccccc3)CC2)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.62
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
DRD2 P14416 5/20 0.50
DRD3 P35462 4/20 0.50
HTR7 P34969 1/20 0.49
CACNA1G O43497 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR1A P08908 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
HTR2C P28335 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL3194408 0.81 LMNA (0.56) KDM4EALDH1A1
SCHEMBL4058468 0.81 HRH3 (0.52) KDM4EALDH1A1L3MBTL1
SCHEMBL4063051 0.81 HRH3 (0.57) KDM4EALDH1A1L3MBTL1
SCHEMBL477889 0.80 HRH3 (0.57) ALDH1A1SIGMAR1MAPT
SCHEMBL3183618 0.79 HRH3 (0.60) KDM4EALDH1A1L3MBTL1
SCHEMBL4649494 0.79 DRD4 (0.87) DRD4KDM4EALDH1A1HTTDRD2
SCHEMBL6031812 0.78 DRD4 (1.00) DRD4KDM4EALDH1A1HTTDRD2
SCHEMBL4058996 0.76 CHKA (0.63) KDM4EALDH1A1SIGMAR1
SCHEMBL22532699 0.76 DRD4 (0.79) DRD4KDM4EALDH1A1HTTDRD2
SCHEMBL12861757 0.76 DRD4 (0.79) DRD4KDM4EALDH1A1HTTDRD2

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 12 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-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO 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
CN-1923812-A New compounds ASTRAZENECA AB (SE) 2007-03-07 CN disclosed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN 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 DRD4 2523/4885KDM4E 4287/4885ALDH1A1 275/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 DRD4 2762/4885KDM4E 3790/4885ALDH1A1 228/4885

“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.