SCHEMBL4057677

SCHEMBL4057677

CC1CCCN(Cc2ccc(Cl)[n+]([O-])c2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
HRH4 Q9H3N8 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
AGTR1 P30556 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4056900 0.83 HRH3 (0.59) HRH3ALDH1A1
SCHEMBL4063051 0.81 HRH3 (0.57) HRH3HRH4ALDH1A1CYP2D6CYP2C19
SCHEMBL4058468 0.81 HRH3 (0.52) HRH3HRH4ALDH1A1CYP2D6CYP2C19
SCHEMBL25740940 0.80 GAA (0.58) HRH3HRH4ALDH1A1KDM4EGAA
SCHEMBL16254956 0.80 GAA (0.58) HRH3HRH4ALDH1A1KDM4EGAA
SCHEMBL13727922 0.80 GAA (0.58) HRH3HRH4ALDH1A1KDM4EGAA
SCHEMBL8244556 0.80 HRH3 (0.54) HRH3HRH4NPSR1ALDH1A1CYP1A2
SCHEMBL3183618 0.80 HRH3 (0.60) HRH3HRH4ALDH1A1CYP2D6CYP2C19
SCHEMBL4057672 0.78 LTA4H (0.47) HRH3
SCHEMBL82814 0.77 HPGD (0.60) HRH3HRH4NPSR1ALDH1A1LMNA

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 2859/4885HRH4 1100/4885NPSR1 1729/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 HRH3 2277/4885HRH4 970/4885NPSR1 1133/4885

“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.