SCHEMBL3559646

SCHEMBL3559646

C[C@@H]1CN[C@@H](C)CN1c1cccc2cc(S(=O)(=O)c3ccccc3)cnc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.57
HTR2A P28223 5/20 0.57
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
HTR7 P34969 1/20 0.57
HTR2B P41595 1/20 0.39
PIK3CD O00329 1/20 0.39
HDAC1 Q13547 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
XIAP P98170 3/20 0.35
BIRC2 Q13490 3/20 0.35
SLC40A1 Q9NP59 1/20 0.34
PIK3CA P42336 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
PIM1 P11309 5/20 0.33
PIM2 Q9P1W9 4/20 0.33

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
SCHEMBL3566560 0.84 HTR6 (0.69) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3563118 0.84 HTR6 (0.69) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3563115 0.84 HTR6 (0.69) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL2199570 0.83 HTR6 (0.67) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL2199566 0.83 HTR6 (0.67) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3565340 0.82 HTR6 (0.73) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3557502 0.82 HTR6 (0.73) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL2198436 0.82 HTR6 (0.72) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL2198003 0.82 HTR6 (0.72) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3559649 0.81 HTR6 (0.37) 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.