SCHEMBL4074677

SCHEMBL4074677

O=S(=O)(c1ccccc1)c1nn(C2CCNCC2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.60
NSD3 Q9BZ95 1/20 0.40
PLAT P00750 1/20 0.39
CYP3A4 P08684 1/20 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
SCHEMBL4074283 0.93 HTR6 (0.62) HTR6
SCHEMBL4077992 0.87 HTR6 (0.60) HTR6
SCHEMBL4066105 0.80 HTR6 (0.64) HTR6
SCHEMBL4067456 0.77 HTR6 (0.53) HTR6
SCHEMBL4071386 0.76 HTR6 (0.66) HTR6
SCHEMBL27611350 0.76 HTR6 (0.40) HTR6NSD3CYP3A4
SCHEMBL4077678 0.75 HTR6 (1.00) HTR6
SCHEMBL4072125 0.74 HTR6 (0.67) HTR6CYP3A4
SCHEMBL2851940 0.74 KHK (0.47) HTR6NSD3CYP3A4
Hydrochloric Acid SCHEMBL15658181 0.72 KHK (0.46) HTR6NSD3CYP3A4

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 1/4885NSD3 2397/4885PLAT 4608/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885NSD3 1733/4885PLAT 4664/4885

“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.