SCHEMBL4812669

SCHEMBL4812669

O=S(=O)(c1ccccc1)c1cn(C2CCN(CCc3ccccc3)C2)c2ccncc12

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.63
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL4066114 0.88 HTR6 (0.80) HTR6HTR2AHTR2CKCNH2
SCHEMBL4074731 0.78 HTR6 (1.00) HTR6
SCHEMBL4074930 0.73 HTR6 (1.00) HTR6HTR2A
SCHEMBL4068728 0.72 HTR6 (1.00) HTR6
SCHEMBL3885076 0.69 HTR6 (0.72) HTR6HTR2AHTR2C
SCHEMBL4071513 0.69 HTR6 (1.00) HTR6
SCHEMBL4072688 0.68 HTR6 (0.71) HTR6
SCHEMBL3892500 0.68 HTR6 (0.62) HTR6
SCHEMBL3888274 0.65 HTR6 (0.74) HTR6
SCHEMBL7024242 0.65 HTR2A (0.82) HTR2AHTR2CKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057039-B2 1-heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-06 US claimed
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 US claimed
US-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-12-11 US disclosed
US-7411064-B2 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-12 US disclosed
US-20060142330-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-29 US disclosed
US-7057039-B2 1-heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-06-06 US disclosed
EP-1551840-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-07-13 EP disclosed
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 US disclosed
WO-2004009600-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-01-29 WO 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 (3 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-20080306106-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR2C HTR6 1/4885HTR2A 8/4885HTR2C 3/4885
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR5A HTR6 1/4885HTR2A 8/4885HTR2C 4/4885
US-20060142330-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885HTR2A 8/4885HTR2C 3/4885

“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.