SCHEMBL3556348

SCHEMBL3556348

CC(C)(C)CN1CCN(c2cccc3ccc(S(=O)(=O)c4ccccc4)nc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.43
DRD2 P14416 6/20 0.43
HTR2A P28223 3/20 0.43
HTR7 P34969 3/20 0.43
HTR1A P08908 1/20 0.43
ATM Q13315 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD3 P35462 4/20 0.39
HRH3 Q9Y5N1 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3561572 0.84 HTR6 (0.46) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL3556346 0.82 HTR6 (0.67) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL3558261 0.81 HTR6 (0.47) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL27544502 0.79 HTR6 (0.65) HTR6DRD2HTR2AHTR7HTR1A
Hydrochloric Acid SCHEMBL27563048 0.78 HTR6 (0.64) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL3562087 0.76 HTR6 (0.40) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL4525417 0.74 HTR6 (0.41) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL5071407 0.72 HTR6 (0.47) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL5485454 0.72 HTR6 (0.49) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL4813026 0.71 HTR6 (0.67) HTR6DRD2HTR2AHTR7HTR1A

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 1/4885DRD2 29/4885HTR2A 9/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTR6 111/4885DRD2 125/4885HTR2A 124/4885

“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.