SCHEMBL4077992

SCHEMBL4077992

O=S(=O)(c1cccc(Cl)c1)c1nn(C2CCNCC2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.60
HTR1A P08908 2/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
HTR2C P28335 2/20 0.44
HTR7 P34969 2/20 0.44
HTR2B P41595 2/20 0.44

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
SCHEMBL4074677 0.87 HTR6 (0.60) HTR6
SCHEMBL4074283 0.81 HTR6 (0.62) HTR6
SCHEMBL27611349 0.80 HTR6 (0.44) HTR6
SCHEMBL4065470 0.79 HTR6 (0.88) HTR6
SCHEMBL4066105 0.71 HTR6 (0.64) HTR6
SCHEMBL4073460 0.70 HTR6 (0.46) HTR6HTR1A
SCHEMBL27611350 0.69 HTR6 (0.40) HTR6
SCHEMBL4066407 0.69 HTR6 (0.54) HTR6HTR2CHTR2B
SCHEMBL4067456 0.69 HTR6 (0.53) HTR6
SCHEMBL2851940 0.68 KHK (0.47) HTR6HTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589108-B2 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-15 US 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
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 1/4885HTR1A 5/4885HTR1D 18/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885HTR1A 3/4885HTR1D 15/4885

“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.