SCHEMBL2197229

SCHEMBL2197229

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1cccc2cc(S(=O)(=O)c3ccccc3)cnc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
HTR6 P50406 3/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR7 P34969 1/20 0.49
GPR119 Q8TDV5 2/20 0.47
PARP1 P09874 1/20 0.46
HDAC1 Q13547 2/20 0.44
HSD11B1 P28845 1/20 0.42
NR1H2 P55055 5/20 0.39
NR1H3 Q13133 4/20 0.39
PIK3CA P42336 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
MAPK8 P45983 1/20 0.38
RET P07949 2/20 0.37

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
SCHEMBL2197232 0.84 PARP1 (0.47) GPR119PARP1HDAC1HSD11B1NR1H2
SCHEMBL3649391 0.82 HTR2A (0.51) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL2196741 0.81 HTR2A (0.52) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL2196748 0.81 HTR2A (0.52) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3643200 0.81 HTR2A (0.54) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3643203 0.81 HTR2A (0.54) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL2197307 0.79 HTR2A (0.63) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3651344 0.79 HTR2A (0.54) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL951512 0.77 HTR2A (0.48) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL3642492 0.76 HTR6 (0.55) 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 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 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

“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.