SCHEMBL4069379

SCHEMBL4069379

Cc1ccc2c(S(=O)(=O)c3ccccc3)nn(CC3CCNCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.48
KHK P50053 11/20 0.40
MERTK Q12866 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
KCNH2 Q12809 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4071303 0.94 HTR6 (0.45) HTR6KHKTP53MAPTSMN1; SMN2
SCHEMBL4073460 0.88 HTR6 (0.46) HTR6TP53MAPT
SCHEMBL4074381 0.88 HTR6 (0.46) HTR6KCNH2
SCHEMBL4073972 0.87 HTR6 (0.46) HTR6KHKMAPT
SCHEMBL4066407 0.82 HTR6 (0.54) HTR6TP53MAPT
SCHEMBL4075648 0.81 HTR6 (0.42) HTR6KHKKDM4EALDH1A1HPGD
SCHEMBL4072753 0.78 HTR6 (0.52) HTR6CNR2
SCHEMBL4813478 0.77 HTR6 (0.41) HTR6MERTK
SCHEMBL4818155 0.76 HTR6 (0.41) HTR6KHKMERTK
SCHEMBL27630666 0.76 HTR6 (0.41) HTR6KHKMERTKCNR2

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
CN-1668590-A 1-heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2005-09-14 CN claimed
US-7589108-B2 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-15 US disclosed
CN-100351236-C 1-heterocyclylalkyl-3-sulfonyl-indole derivatives as 5-hydroxytryptamine-6 ligands, process for their preparation and their use WYETH CORP (US) 2007-11-28 CN disclosed
US-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-09 US disclosed
US-6995176-B2 1-heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-07 US disclosed
CN-1668590-A 1-heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2005-09-14 CN disclosed
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 US 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 (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-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR5A HTR6 1/4885KHK 3604/4885MERTK 1944/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885KHK 3160/4885MERTK 1724/4885

“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.