SCHEMBL4810168

SCHEMBL4810168

COCCN1CCN(c2cccc3cc(S(=O)(=O)c4ccccc4)cnc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.64
HTR7 P34969 8/20 0.64
HTR2A P28223 6/20 0.64
HTR1A P08908 5/20 0.64
DRD2 P14416 5/20 0.64
HRH1 P35367 2/20 0.46
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ADRA2A P08913 3/20 0.42
PIK3CA P42336 1/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DRD3 P35462 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
Hydrochloric Acid SCHEMBL4808915 0.99 HTR6 (0.63) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL3559568 0.86 HTR6 (0.71) HTR6HTR7HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL2198927 0.85 HTR6 (0.69) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL15503471 0.85 HTR6 (0.80) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL2197288 0.85 HTR6 (0.80) HTR6HTR7HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL4807140 0.84 HTR6 (0.78) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL3561570 0.84 HTR6 (0.67) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL3556346 0.84 HTR6 (0.67) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL14400458 0.83 HTR6 (0.82) HTR6HTR7HTR2AHTR1ADRD2
SCHEMBL4813026 0.82 HTR6 (0.67) HTR6HTR7HTR2AHTR1ADRD2

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
US-7439244-B2 Quinoline compounds and pharmeceutical compositions containing them GLAXO GROUP LIMITED (GB) 2008-10-21 US claimed
JP-2007505075-A 2007-03-08 JP claimed
US-20060287334-A1 Quinoline compounds and pharmeceutical compositions containing them GLAXO GROUP LIMITED (GB) 2006-12-21 US claimed
EP-1663980-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-06-07 EP claimed
WO-2005026125-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-03-24 WO claimed
US-7439244-B2 Quinoline compounds and pharmeceutical compositions containing them GLAXO GROUP LIMITED (GB) 2008-10-21 US disclosed
US-7439244-B2 Quinoline compounds and pharmeceutical compositions containing them GLAXO GROUP LIMITED (GB) 2008-10-21 US disclosed
WO-2005026125-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-03-24 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-20060287334-A1 Quinoline compounds and pharmeceutical compositions containing them ATP6V1B2, CNR2, CNR1 HTR6 43/4885HTR7 39/4885HTR2A 84/4885

“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.