SCHEMBL4649236

SCHEMBL4649236

O=S(=O)(c1ccccc1)c1cnc2c(OC3CCCNC3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
HTR7 P34969 1/20 0.52
HTR6 P50406 1/20 0.52
IKBKB O14920 2/20 0.45
CHUK O15111 2/20 0.45
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
CSF1R P07333 2/20 0.42
KDR P35968 2/20 0.42
CHEK1 O14757 5/20 0.42
SLC6A2 P23975 1/20 0.40
ROCK1 Q13464 4/20 0.39
KCNH2 Q12809 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ROCK2 O75116 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
SCHEMBL4649524 0.94 HTR1A (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4649526 0.94 HTR1A (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4649903 0.94 HTR1A (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4648947 0.87 HTR6 (0.58) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4649408 0.80 HTR6 (0.48) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4650913 0.80 ROCK1 (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4650645 0.79 HTR6 (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4756585 0.78 HTR6 (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4649908 0.78 HTR6 (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4650003 0.78 HTR6 (0.51) HTR1ADRD2HTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730112-B1 3-((HETERO)ARYLSULFONYL)-8'[ (AMINOALKYL)OXY]QUINOLINES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-09-03 EP claimed
EP-1306482-B1 PLUSH LEATHER-LIKE SHEET PRODUCT AND METHOD FOR PRODUCTION THEREOF TORAY INDUSTRIES (JP) 2008-09-03 EP claimed
US-20070191345-A1 3-((Hetero)arylsulfonyl)-8-'(aminoalkyl)oxyquinolines as 5-ht6 receptor antagonists for the treatment of cns disorders GLAXO GROUP LIMITED (GB) 2007-08-16 US claimed
EP-1730112-A1 3-((HETERO)ARYLSULFONYL)-8'[ (AMINOALKYL)OXY]QUINOLINES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP claimed
WO-2005095346-A1 3-((HETERO)ARYLSULFONYL)-8-` (AMINOALKYL)OXY!QUINOLINES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-10-13 WO claimed
EP-1730112-B1 3-((HETERO)ARYLSULFONYL)-8'[ (AMINOALKYL)OXY]QUINOLINES AS 5-HT6 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed
US-20070191345-A1 3-((Hetero)arylsulfonyl)-8-'(aminoalkyl)oxyquinolines as 5-ht6 receptor antagonists for the treatment of cns disorders GLAXO GROUP LIMITED (GB) 2007-08-16 US disclosed
US-20070191345-A1 3-((Hetero)arylsulfonyl)-8-'(aminoalkyl)oxyquinolines as 5-ht6 receptor antagonists for the treatment of cns disorders GLAXO GROUP LIMITED (GB) 2007-08-16 US disclosed
US-20070191345-A1 3-((Hetero)arylsulfonyl)-8-'(aminoalkyl)oxyquinolines as 5-ht6 receptor antagonists for the treatment of cns disorders GLAXO GROUP LIMITED (GB) 2007-08-16 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 (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-20070191345-A1 3-((Hetero)arylsulfonyl)-8-'(aminoalkyl)oxyquinolines as 5-ht6 receptor antagonists for the treatment of cns disorders HTR6, HTR3B, HTR2C HTR1A 7/4885DRD2 102/4885HTR2A 4/4885

“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.