SCHEMBL4066407

SCHEMBL4066407

O=S(=O)(c1ccccc1)c1nn(CC2CCNCC2)c2ccc(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.54
DRD2 P14416 2/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.40
CPT1A P50416 2/20 0.39
CPT1B Q92523 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
SCHEMBL4073460 0.93 HTR6 (0.46) HTR6DRD2POLBKMT2AMAPT
SCHEMBL4069379 0.82 HTR6 (0.48) HTR6MAPTTP53
SCHEMBL4074381 0.82 HTR6 (0.46) HTR6DRD2HTR2C
SCHEMBL4073972 0.80 HTR6 (0.46) HTR6KMT2AMAPT
SCHEMBL4074288 0.79 HTR6 (0.52) HTR6MAPTRXFP1
SCHEMBL4813478 0.77 HTR6 (0.41) HTR6KMT2A
SCHEMBL4071303 0.76 HTR6 (0.45) HTR6MAPTTP53
SCHEMBL4818155 0.75 HTR6 (0.41) HTR6
SCHEMBL4068821 0.74 HTR6 (0.61) HTR6
SCHEMBL4076420 0.74 HTR6 (0.40) HTR6DRD2HTR2CHTR2BPOLB

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 1/4885DRD2 145/4885HTR2C 4/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885DRD2 159/4885HTR2C 4/4885

“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.