SCHEMBL4495166

SCHEMBL4495166

Cn1nc(S(=O)(=O)c2cccc(F)c2)c2cc(N3CCNCC3)cnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.56
HTR1A P08908 4/20 0.47
DRD2 P14416 4/20 0.47
HTR1B P28222 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
HTR1D P28221 1/20 0.47
HTR7 P34969 3/20 0.43
HTR2A P28223 2/20 0.43
ACVR1 Q04771 1/20 0.43
CYP1A2 P05177 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL4479080 0.80 HTR6 (0.58) HTR6HTR1ADRD2HTR1BHTR2C
SCHEMBL4486524 0.78 HTR6 (0.51) HTR6HTR1ADRD2HTR1BHTR2C
SCHEMBL4481804 0.78 HTR6 (0.56) HTR6HTR1ADRD2HTR1BHTR2C
SCHEMBL3957473 0.73 HTR6 (0.66) HTR6HTR1ADRD2HTR2BHTR7
SCHEMBL3948917 0.72 HTR6 (1.00) HTR6HTR1ADRD2HTR1BHTR2C
SCHEMBL3951001 0.70 HTR6 (0.64) HTR6HTR1ADRD2HTR1BHTR2C
SCHEMBL4475099 0.70 HTR6 (0.58) HTR6HTR1ADRD2HTR1BHTR2C
SCHEMBL3136898 0.69 HTR6 (0.60) HTR6HTR1ADRD2HTR1BHTR2C
SCHEMBL4482268 0.69 HTR6 (0.56) HTR6HTR1ADRD2HTR1BHTR2C
SCHEMBL3957243 0.68 HTR6 (0.48) HTR6HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576087-B2 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-08-18 US claimed
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-01-17 US claimed
JP-2006517966-A 2006-08-03 JP claimed
EP-1592690-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2005-11-09 EP claimed
WO-2004074286-A1 HETEROCYCLYL-3-SULFONYLAZAINDOLE OR -AZAINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2004-09-02 WO claimed
US-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 US claimed
US-7576087-B2 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-08-18 US disclosed
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-01-17 US disclosed
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US disclosed
US-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 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-20040167030-A1 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885HTR1A 6/4885DRD2 120/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885HTR1A 6/4885DRD2 108/4885

“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.