SCHEMBL2197307

SCHEMBL2197307

CC(C)(C)OC(=O)N1CCN(c2cccc3cc(S(=O)(=O)c4ccccc4)cnc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.63
HTR6 P50406 3/20 0.63
HTR1A P08908 1/20 0.63
DRD2 P14416 1/20 0.63
HTR7 P34969 1/20 0.63
PIK3CA P42336 1/20 0.57
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
GPR119 Q8TDV5 3/20 0.45
PTPN11 Q06124 1/20 0.44
ACHE P22303 2/20 0.43
KIT P10721 1/20 0.43
MET P08581 1/20 0.43
BACE1 P56817 3/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
SFRP1 Q8N474 1/20 0.42
GBA1 P04062 1/20 0.42

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
SCHEMBL2195197 0.96 HTR2A (0.59) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3204503 0.91 HTR2A (0.71) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL2197469 0.89 HTR6 (0.56) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3642492 0.87 HTR6 (0.55) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4701379 0.87 TGM2 (0.47) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL2196741 0.86 HTR2A (0.52) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL2196748 0.86 HTR2A (0.52) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4698210 0.83 PKM (0.48) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4699246 0.83 TGM2 (0.46) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3643200 0.83 HTR2A (0.54) HTR2AHTR6HTR1ADRD2HTR7

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 15 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-7601837-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2009-10-13 US disclosed
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands GLAXO GROUP LIMITED 2009-02-05 US disclosed
US-7452888-B2 Quinoline derivatives and their use as 5-ht6 ligands GLAXO GROUP LIMITED (GB) 2008-11-18 US disclosed
US-7439244-B2 Quinoline compounds and pharmeceutical compositions containing them GLAXO GROUP LIMITED (GB) 2008-10-21 US disclosed
EP-1956004-A1 Quinoline derivatives and their use as 5-HT6 ligands Glaxo Group Limited (GB) 2008-08-13 EP disclosed
EP-1497266-B1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LTD (GB) 2008-06-11 EP disclosed
US-20060287334-A1 Quinoline compounds and pharmeceutical compositions containing them GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
US-20050124628-A1 Novel compounds ROIVANT NEUROSCIENCES LTD. (BM) 2005-06-09 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 (6 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 HTR2A 9/4885HTR6 1/4885HTR1A 4/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTR2A 124/4885HTR6 111/4885HTR1A 132/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HTR2A 8/4885HTR6 1/4885HTR1A 2/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HTR2A 8/4885HTR6 1/4885HTR1A 2/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 HTR2A 9/4885HTR6 1/4885HTR1A 4/4885
US-20060287334-A1 Quinoline compounds and pharmeceutical compositions containing them ATP6V1B2, CNR2, CNR1 HTR2A 84/4885HTR6 43/4885HTR1A 68/4885

“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.