SCHEMBL3563115

SCHEMBL3563115

C[C@H]1CNCCN1c1cccc2cc(S(=O)(=O)c3ccccc3)cnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.69
HTR2A P28223 5/20 0.69
HTR1A P08908 1/20 0.69
DRD2 P14416 1/20 0.69
HTR7 P34969 1/20 0.69
HTR2B P41595 1/20 0.41
HTR2C P28335 3/20 0.39
PRKD3 O94806 2/20 0.39
PRKCG P05129 2/20 0.39
PRKCB P05771 2/20 0.39
PRKCA P17252 2/20 0.39
PRKACA P17612 2/20 0.39
PRKACG P22612 2/20 0.39
PRKACB P22694 2/20 0.39
PRKCH P24723 2/20 0.39
PRKCI P41743 2/20 0.39
PRKCE Q02156 2/20 0.39
PRKCQ Q04759 2/20 0.39
PRKCZ Q05513 2/20 0.39
PRKCD Q05655 2/20 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
SCHEMBL3563118 1.00 HTR6 (0.69) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3566560 1.00 HTR6 (0.69) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL2199570 0.99 HTR6 (0.67) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL2199566 0.99 HTR6 (0.67) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3559646 0.84 HTR6 (0.57) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3566563 0.82 HTR6 (0.44) HTR6HTR2AHTR1ADRD2HTR7
Intepirdine SCHEMBL29355057 0.82 HTR6 (1.00) HTR6HTR2AHTR1ADRD2HTR7
Intepirdine SCHEMBL1683964 0.82 HTR6 (1.00) HTR6HTR2AHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL27563035 0.81 HTR6 (0.43) HTR6HTR2AHTR1ADRD2HTR7
Intepirdine SCHEMBL2197942 0.81 HTR6 (0.98) 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.