SCHEMBL2200350

SCHEMBL2200350

CN1CCN(c2cccc3cc(S(=O)(=O)c4ccccc4Cl)cnc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.66
HTR2A P28223 8/20 0.66
DRD2 P14416 4/20 0.56
HTR7 P34969 4/20 0.56
HTR1A P08908 4/20 0.56
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 2/20 0.46
DRD3 P35462 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HTR2C P28335 3/20 0.41
DRD4 P21917 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
AKT1 P31749 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL3558512 0.88 HTR6 (0.67) HTR6HTR2ADRD2HTR7HTR1A
SCHEMBL3560921 0.87 HTR6 (0.74) HTR6HTR2ADRD2HTR7HTR1A
SCHEMBL3555763 0.87 HTR6 (0.72) HTR6HTR2ADRD2HTR7HTR1A
Hydrochloric Acid SCHEMBL2199613 0.86 HTR6 (0.73) HTR6HTR2ADRD2HTR7HTR1A
SCHEMBL15503471 0.85 HTR6 (0.80) HTR6HTR2ADRD2HTR7HTR1A
SCHEMBL2197288 0.85 HTR6 (0.80) HTR6HTR2ADRD2HTR7HTR1A
SCHEMBL3567143 0.85 HTR6 (0.64) HTR6HTR2ADRD2HTR7HTR1A
SCHEMBL3561641 0.85 HTR6 (0.72) HTR6HTR2ADRD2HTR7HTR1A
SCHEMBL5072343 0.85 HTR6 (0.66) HTR6HTR2ADRD2HTR7HTR1A
Hydrochloric Acid SCHEMBL4807140 0.84 HTR6 (0.78) HTR6HTR2ADRD2HTR7HTR1A

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
US-8236947-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
EP-1956004-B1 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2012-06-13 EP disclosed
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED 2011-09-29 US disclosed
US-7977337-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2011-07-12 US disclosed
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED 2010-12-02 US disclosed
US-7799774-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands GLAXO GROUP LIMITED 2009-02-05 US disclosed
EP-1956004-A1 Quinoline derivatives and their use as 5-HT6 ligands Glaxo Group Limited (GB) 2008-08-13 EP disclosed
US-20050124628-A1 Novel compounds ROIVANT NEUROSCIENCES LTD. (BM) 2005-06-09 US disclosed
EP-1497266-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003080580-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2003-10-02 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 (5 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-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR3B, HTR4 HTR6 1/4885HTR2A 9/4885DRD2 29/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTR6 111/4885HTR2A 124/4885DRD2 125/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HTR6 1/4885HTR2A 8/4885DRD2 36/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HTR6 1/4885HTR2A 8/4885DRD2 36/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 HTR6 1/4885HTR2A 9/4885DRD2 29/4885

“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.