SCHEMBL3561641

SCHEMBL3561641

CN1CCN(c2cccc3cc(S(=O)(=O)c4ccc(Cl)cc4)cnc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.72
HTR2A P28223 7/20 0.72
HTR1A P08908 4/20 0.61
HTR7 P34969 3/20 0.61
DRD2 P14416 1/20 0.61
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
HTR2B P41595 1/20 0.46
KMT2A Q03164 1/20 0.43
HTR2C P28335 5/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL5068818 0.90 HTR6 (0.77) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL3560702 0.90 HTR6 (0.73) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL2197288 0.90 HTR6 (0.80) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL15503471 0.90 HTR6 (0.80) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL3562663 0.89 HTR6 (0.82) HTR6HTR2AHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL4807140 0.89 HTR6 (0.78) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL3567631 0.87 HTR6 (0.81) HTR6HTR2AHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL2199517 0.86 HTR6 (0.80) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL2200350 0.85 HTR6 (0.66) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL3132360 0.83 HTR6 (1.00) HTR6HTR2AHTR1AHTR7DRD2

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 9 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
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

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 9/4885HTR1A 4/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTR6 111/4885HTR2A 124/4885HTR1A 132/4885

“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.