SCHEMBL5485449

SCHEMBL5485449

O=S(=O)(c1ccc(F)cc1)c1cnc2c(N3CCN(CC(F)(F)F)CC3)cccc2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.60
HTR2A P28223 4/20 0.60
HTR7 P34969 5/20 0.56
HTR1A P08908 4/20 0.56
DRD2 P14416 3/20 0.56
HRH1 P35367 2/20 0.37
KCNH2 Q12809 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
DRD4 P21917 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
CFTR P13569 1/20 0.36
HSD11B1 P28845 1/20 0.36
POLB P06746 1/20 0.36
NR1H2 P55055 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
SCHEMBL4813026 0.92 HTR6 (0.67) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3562663 0.84 HTR6 (0.82) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3326507 0.83 DRD2 (0.63) HTR6HTR2AHTR7HTR1ADRD2
Hydrochloric Acid SCHEMBL4806294 0.82 DRD2 (0.62) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3566662 0.82 HTR6 (0.81) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3556346 0.82 HTR6 (0.67) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3559568 0.78 HTR6 (0.71) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL5458797 0.78 HTR6 (0.60) HTR6HTR2AHTR7HTR1ADRD2
Hydrochloric Acid SCHEMBL5454025 0.77 HTR6 (0.59) HTR6HTR2AHTR7HTR1ADRD2
Hydrochloric Acid SCHEMBL2198927 0.77 HTR6 (0.69) HTR6HTR2AHTR7HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060287334-A1 Quinoline compounds and pharmeceutical compositions containing them GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
EP-1663980-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-06-07 EP 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 43/4885HTR2A 84/4885HTR7 39/4885

“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.