SCHEMBL3558261

SCHEMBL3558261

CC(C)N1CCN(c2cccc3ccc(S(=O)(=O)c4ccccc4)nc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.47
HTR2A P28223 3/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.47
HRH3 Q9Y5N1 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
HTR2C P28335 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
SCHEMBL3561572 0.85 HTR6 (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL27544502 0.81 HTR6 (0.65) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3558256 0.81 HTR6 (0.72) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL27563048 0.81 HTR6 (0.64) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3556348 0.81 HTR6 (0.43) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3562087 0.78 HTR6 (0.40) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL4525417 0.77 HTR6 (0.41) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL5071407 0.75 HTR6 (0.47) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3566563 0.70 HTR6 (0.44) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3556344 0.70 HTR6 (0.60) HTR6HTR2AHTR1ADRD2HTR7

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 9/4885HTR1A 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.