SCHEMBL2197477

SCHEMBL2197477

CN1CCN(c2cccc3cc(I)cnc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.56
HTR2A P28223 4/20 0.56
HTR3A P46098 4/20 0.46
HTR1A P08908 3/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
DRD2 P14416 2/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA2C P18825 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2197147 0.83 HTR6 (0.56) HTR6HTR2AHTR3AHTR1AHTR1D
SCHEMBL2852868 0.83 HTR2A (0.62) HTR6HTR2AHTR3AHTR1AHTR1D
SCHEMBL520960 0.78 CKS1B (0.49) TSHR
SCHEMBL15503471 0.76 HTR6 (0.80) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2197288 0.76 HTR6 (0.80) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3917828 0.75 MAPT (0.43) HTR6HTR2AHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL4807140 0.75 HTR6 (0.78) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3560702 0.74 HTR6 (0.73) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3562663 0.73 HTR6 (0.82) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3561641 0.73 HTR6 (0.72) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236947-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
EP-1956004-B1 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2012-06-13 EP disclosed
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED 2011-09-29 US disclosed
US-7977337-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2011-07-12 US disclosed
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED 2010-12-02 US disclosed
US-7799774-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
US-7601837-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2009-10-13 US disclosed
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands GLAXO GROUP LIMITED 2009-02-05 US disclosed
US-7452888-B2 Quinoline derivatives and their use as 5-ht6 ligands GLAXO GROUP LIMITED (GB) 2008-11-18 US disclosed
EP-1956004-A1 Quinoline derivatives and their use as 5-HT6 ligands Glaxo Group Limited (GB) 2008-08-13 EP disclosed
EP-1497266-B1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LTD (GB) 2008-06-11 EP disclosed
CN-1315809-C Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2007-05-16 CN disclosed
US-20060287334-A1 Quinoline compounds and pharmeceutical compositions containing them GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
EP-1663980-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-06-07 EP disclosed
CN-1656075-A Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2005-08-17 CN disclosed
US-20050124628-A1 Novel compounds ROIVANT NEUROSCIENCES LTD. (BM) 2005-06-09 US disclosed
WO-2005026125-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-03-24 WO disclosed
EP-1497266-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003080580-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2003-10-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 9/4885HTR3A 11/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTR6 111/4885HTR2A 124/4885HTR3A 212/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HTR6 1/4885HTR2A 8/4885HTR3A 7/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HTR6 1/4885HTR2A 8/4885HTR3A 7/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 HTR6 1/4885HTR2A 9/4885HTR3A 11/4885
US-20060287334-A1 Quinoline compounds and pharmeceutical compositions containing them ATP6V1B2, CNR2, CNR1 HTR6 43/4885HTR2A 84/4885HTR3A 218/4885

“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.