SCHEMBL3570647

SCHEMBL3570647

C[C@@H]1CN(c2cccc3cc(S(=O)(=O)c4ccccc4)cnc23)CCN1C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.64
HTR2A P28223 6/20 0.64
HTR1A P08908 2/20 0.64
HTR7 P34969 2/20 0.64
DRD2 P14416 1/20 0.64
HTR2B P41595 1/20 0.44
DRD4 P21917 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIK3CA P42336 1/20 0.37
SCN9A Q15858 1/20 0.36
PIN1 Q13526 1/20 0.36
WDR5 P61964 1/20 0.36
DHFR P00374 1/20 0.36
KIT P10721 1/20 0.35
ADRB2 P07550 1/20 0.35

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
SCHEMBL3562080 1.00 HTR6 (0.64) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL2197288 0.85 HTR6 (0.80) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL15503471 0.85 HTR6 (0.80) HTR6HTR2AHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL4807140 0.84 HTR6 (0.78) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL3565340 0.83 HTR6 (0.73) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL3557502 0.83 HTR6 (0.73) HTR6HTR2AHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL2198003 0.82 HTR6 (0.72) HTR6HTR2AHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL2198436 0.82 HTR6 (0.72) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL14400458 0.82 HTR6 (0.82) HTR6HTR2AHTR1AHTR7DRD2
SCHEMBL3562087 0.82 HTR6 (0.40) 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.