SCHEMBL2197288

SCHEMBL2197288

CN1CCN(c2cccc3cc(S(=O)(=O)c4ccccc4)cnc23)CC1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.80
HTR2A P28223 8/20 0.80
HTR1A P08908 5/20 0.75
DRD2 P14416 4/20 0.75
HTR7 P34969 4/20 0.75
HTR2B P41595 2/20 0.51
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DRD3 P35462 5/20 0.46
HTR2C P28335 5/20 0.44
DRD4 P21917 2/20 0.44

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
SCHEMBL15503471 1.00 HTR6 (0.80) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4807140 0.99 HTR6 (0.78) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3560702 0.91 HTR6 (0.73) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL14400458 0.90 HTR6 (0.82) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3562663 0.90 HTR6 (0.82) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3561641 0.90 HTR6 (0.72) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL5068818 0.89 HTR6 (0.77) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3132360 0.89 HTR6 (1.00) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3558256 0.88 HTR6 (0.72) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3559568 0.87 HTR6 (0.71) HTR6HTR2AHTR1ADRD2HTR7

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1956004-B1 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2012-06-13 EP claimed
US-7799774-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2010-09-21 US claimed
EP-1956004-A1 Quinoline derivatives and their use as 5-HT6 ligands Glaxo Group Limited (GB) 2008-08-13 EP claimed
CN-1315809-C Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2007-05-16 CN claimed
CN-1656075-A Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2005-08-17 CN claimed
US-20050124628-A1 Novel compounds ROIVANT NEUROSCIENCES LTD. (BM) 2005-06-09 US claimed
EP-1497266-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-19 EP claimed
WO-2003080580-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2003-10-02 WO claimed
US-10660878-B2 Methods of treating dementia and pharmaceutical compositions thereof H. LUNDBECK A/S (DK) 2020-05-26 US disclosed
US-20180071254-A1 METHODS OF TREATING DEMENTIA AND PHARMACEUTICAL COMPOSITIONS THEREOF H. LUNDBECK A/S (DK) 2018-03-15 US disclosed
US-9789085-B2 Methods of treating dementia and pharmaceutical compositions thereof H. LUNDBECK A/S (DK) 2017-10-17 US disclosed
WO-2017147601-A1 METHODS OF IMPROVING BALANCE, GAIT OR BOTH IN PATIENTS WITH NEUROLOGICAL DISEASE AXOVANT SCIENCES GMBH (CH) 2017-08-31 WO disclosed
US-9687473-B2 Methods of treating Alzheimer's disease and pharmaceutical compositions thereof H. LUNDBECK A/S (DK) 2017-06-27 US disclosed
US-9642837-B2 2017-05-09 US disclosed
EP-1663980-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-06-07 EP disclosed
CN-1656075-A Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2005-08-17 CN disclosed
US-20050124628-A1 Novel compounds ROIVANT NEUROSCIENCES LTD. (BM) 2005-06-09 US disclosed
WO-2005026125-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-03-24 WO 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 (3 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-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTR6 111/4885HTR2A 124/4885HTR1A 132/4885
US-10660878-B2 Methods of treating dementia and pharmaceutical compositions thereof ACHE, BCHE, CHAT HTR6 67/4885HTR2A 130/4885HTR1A 192/4885
US-20180071254-A1 METHODS OF TREATING DEMENTIA AND PHARMACEUTICAL COMPOSITIONS THEREOF ACHE, BCHE, CHAT HTR6 67/4885HTR2A 130/4885HTR1A 192/4885

“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.