SCHEMBL4056900

SCHEMBL4056900

CC1CCN(Cc2ccc(Cl)[n+]([O-])c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.59
ACHE P22303 5/20 0.55
HTR7 P34969 3/20 0.43
ALDH1A1 P00352 1/20 0.41
PARP1 P09874 1/20 0.40
SIGMAR1 Q99720 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4057677 0.83 HRH3 (0.46) HRH3ALDH1A1
SCHEMBL3194408 0.83 LMNA (0.56) HRH3ALDH1A1
SCHEMBL4063051 0.83 HRH3 (0.57) HRH3ALDH1A1
SCHEMBL4058468 0.83 HRH3 (0.52) HRH3ALDH1A1
SCHEMBL4058689 0.82 L3MBTL3 (0.55) HRH3ALDH1A1
SCHEMBL3183618 0.81 HRH3 (0.60) HRH3ACHEALDH1A1
SCHEMBL4057672 0.80 LTA4H (0.47) HRH3PARP1
SCHEMBL477889 0.79 HRH3 (0.57) HRH3ALDH1A1SIGMAR1
SCHEMBL4058996 0.78 CHKA (0.63) ALDH1A1SIGMAR1
SCHEMBL156202 0.77 HRH3 (0.76) HRH3ACHEALDH1A1SIGMAR1MEN1

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
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 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 (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 HRH3 2859/4885ACHE 741/4885HTR7 2765/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 HRH3 2277/4885ACHE 484/4885HTR7 2359/4885

“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.