SCHEMBL4819231

SCHEMBL4819231

O=S(=O)(c1ccccc1Cl)c1cn(CC2CCCCN2)c2cc(F)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.38
PAK1 Q13153 1/20 0.37
P2RX7 Q99572 4/20 0.36
IL1B P01584 2/20 0.36
HTR1A P08908 2/20 0.35
HTR1B P28222 1/20 0.35
HTR2C P28335 1/20 0.35
HTR1F P30939 1/20 0.35
GRIN2B Q13224 3/20 0.34
CYP2D6 P10635 1/20 0.34
DRD2 P14416 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP3A4 P08684 2/20 0.33
SCN9A Q15858 2/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL4077750 0.85 HTR6 (0.42) HTR6P2RX7IL1BHTR1AHTR1B
SCHEMBL4812247 0.74 HTR6 (0.40) HTR6GRIN2BKCNH2GRIN1KMT2A
SCHEMBL4819132 0.73 REN (0.39) HTR6
SCHEMBL4817289 0.72 GAA (0.38) HTR6GRIN2BGRIN1
SCHEMBL4069815 0.72 HTR6 (0.45) HTR6PAK1P2RX7IL1BHTR2C
SCHEMBL28753571 0.71 MAPT (0.35) HTR6P2RX7IL1BHTR1ACYP2D6
SCHEMBL4074804 0.70 HTR6 (0.45) HTR6
SCHEMBL4075071 0.70 HTR6 (0.56) HTR6
SCHEMBL4819209 0.69 HTR6 (0.50) HTR6
SCHEMBL4073065 0.69 HTR6 (0.47) HTR6HTR1ACYP2D6DRD2HTR1D

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
EP-1551840-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-07-13 EP claimed
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 US claimed
WO-2004009600-A1 1-HETEROCYCLYLALKYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-01-29 WO 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
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole 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 (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 1/4885PAK1 2339/4885P2RX7 189/4885
US-20040023970-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR5A HTR6 1/4885PAK1 2126/4885P2RX7 196/4885
US-20060142330-A1 1-Heterocyclylalkyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885PAK1 2339/4885P2RX7 189/4885

“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.