SCHEMBL3567539

SCHEMBL3567539

COc1ccccc1S(=O)(=O)c1cnc2c(N3CCNCC3)cccc2c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.70
HTR2A P28223 5/20 0.70
HTR7 P34969 3/20 0.70
HTR1A P08908 3/20 0.70
DRD2 P14416 2/20 0.70
HTR3A P46098 3/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL3567143 0.89 HTR6 (0.64) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3559084 0.88 HTR6 (0.54) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3559080 0.88 HTR6 (0.54) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3560724 0.87 HTR6 (0.74) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL19327013 0.86 HTR7 (0.52) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3559439 0.85 HTR6 (0.74) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL3560921 0.85 HTR6 (0.74) HTR6HTR2AHTR7HTR1ADRD2
SCHEMBL19327033 0.84 HTR6 (0.48) HTR6HTR2AHTR7HTR1ADRD2
Hydrochloric Acid SCHEMBL2199613 0.84 HTR6 (0.73) HTR6HTR2AHTR7HTR1ADRD2
Hydrochloric Acid SCHEMBL2199768 0.84 HTR6 (0.73) HTR6HTR2AHTR7HTR1ADRD2

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.