SCHEMBL4486524

SCHEMBL4486524

Cn1nc(S(=O)(=O)c2cccc(F)c2)c2cncc(N3CCNCC3)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.51
HTR2A P28223 5/20 0.43
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
HTR1A P08908 4/20 0.42
HTR1B P28222 3/20 0.42
DRD2 P14416 3/20 0.42
HTR7 P34969 3/20 0.42
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
DRD3 P35462 1/20 0.42
OPRK1 P41145 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
SCHEMBL4481804 0.80 HTR6 (0.56) HTR6HTR2AHTR2CHTR2BHTR1A
SCHEMBL4475099 0.80 HTR6 (0.58) HTR6HTR2AHTR2CHTR2BHTR1A
SCHEMBL3957243 0.79 HTR6 (0.48) HTR6HTR2AHTR2C
SCHEMBL4495166 0.78 HTR6 (0.56) HTR6HTR2AHTR2CHTR2BHTR1A
SCHEMBL3952442 0.77 HTR6 (0.61) HTR6HTR2AHTR2CHTR2BHTR1A
SCHEMBL3951001 0.72 HTR6 (0.64) HTR6HTR2AHTR2CHTR2BHTR1A
SCHEMBL6588526 0.71 HTR6 (0.77) HTR6
SCHEMBL30394234 0.68 HTR6 (0.58) HTR6HTR2CHTR2BHTR1ASLC6A2
SCHEMBL28311472 0.68 HTR6 (0.58) HTR6HTR2CHTR2BHTR1ASLC6A2
SCHEMBL4658523 0.68 HTR6 (0.60) HTR6

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 1/4885HTR2A 8/4885HTR2C 3/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885HTR2A 7/4885HTR2C 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.