SCHEMBL2197232

SCHEMBL2197232

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1cccc2ccc(S(=O)(=O)c3ccccc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
GPR119 Q8TDV5 2/20 0.44
HSD11B1 P28845 1/20 0.43
HDAC1 Q13547 1/20 0.41
NR1H2 P55055 11/20 0.40
NR1H3 Q13133 10/20 0.40
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2197229 0.84 HTR2A (0.49) PARP1GPR119HSD11B1HDAC1NR1H2
SCHEMBL6703193 0.73 PARP1 (0.51) PARP1GPR119HSD11B1HDAC1NR1H2
SCHEMBL1930266 0.73 PARP1 (0.51) PARP1GPR119HSD11B1HDAC1NR1H2
SCHEMBL30818801 0.72 PARP1 (0.54) PARP1GPR119HSD11B1HDAC1NR1H2
SCHEMBL31472006 0.71 HSD11B1 (0.79) PARP1GPR119HSD11B1NR1H2NR1H3
SCHEMBL30607714 0.70 PARP1 (0.48) PARP1GPR119HSD11B1HDAC1NR1H2
SCHEMBL30607679 0.70 HDAC1 (0.48) PARP1GPR119HSD11B1HDAC1F13A1
SCHEMBL17229916 0.69 HDAC1 (0.47) PARP1GPR119HSD11B1HDAC1
SCHEMBL4100723 0.69 PARP1 (0.54) PARP1GPR119HSD11B1HDAC1F13A1
SCHEMBL4094782 0.69 PARP1 (0.54) PARP1GPR119HSD11B1HDAC1F13A1

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 PARP1 1616/4885GPR119 213/4885HSD11B1 3976/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 PARP1 3116/4885GPR119 220/4885HSD11B1 3110/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 PARP1 1303/4885GPR119 282/4885HSD11B1 4080/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 PARP1 1303/4885GPR119 282/4885HSD11B1 4080/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 PARP1 1616/4885GPR119 213/4885HSD11B1 3976/4885

“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.