SCHEMBL3556346

SCHEMBL3556346

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.67
HTR2A P28223 5/20 0.67
HTR7 P34969 4/20 0.67
DRD2 P14416 4/20 0.67
HTR1A P08908 2/20 0.67
HTR2B P41595 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
HRH1 P35367 2/20 0.40
KCNH2 Q12809 2/20 0.40
ATM Q13315 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.39
DRD3 P35462 2/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KIT P10721 1/20 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
SCHEMBL4813026 0.90 HTR6 (0.67) HTR6HTR2AHTR7DRD2HTR1A
SCHEMBL3559568 0.88 HTR6 (0.71) HTR6HTR2AHTR7DRD2HTR1A
Hydrochloric Acid SCHEMBL2198927 0.87 HTR6 (0.69) HTR6HTR2AHTR7DRD2HTR1A
SCHEMBL3561570 0.85 HTR6 (0.67) HTR6HTR2AHTR7DRD2HTR1A
SCHEMBL2197288 0.85 HTR6 (0.80) HTR6HTR2AHTR7DRD2HTR1A
SCHEMBL15503471 0.85 HTR6 (0.80) HTR6HTR2AHTR7DRD2HTR1A
SCHEMBL14400458 0.84 HTR6 (0.82) HTR6HTR2AHTR7DRD2HTR1A
SCHEMBL4810168 0.84 HTR6 (0.64) HTR6HTR2AHTR7DRD2HTR1A
Hydrochloric Acid SCHEMBL4807140 0.84 HTR6 (0.78) HTR6HTR2AHTR7DRD2HTR1A
SCHEMBL4811687 0.83 HTR6 (0.67) HTR6HTR2AHTR7DRD2HTR1A

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 7 patents. 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
US-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2009-12-03 US claimed
EP-1956004-A1 Quinoline derivatives and their use as 5-HT6 ligands Glaxo Group Limited (GB) 2008-08-13 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 9/4885HTR7 5/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTR6 111/4885HTR2A 124/4885HTR7 117/4885

“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.