SCHEMBL3950671

SCHEMBL3950671

CN1CCN(c2cccc3c(S(=O)(=O)c4ccccc4)n[nH]c23)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.63
DRD2 P14416 4/20 0.50
HTR7 P34969 2/20 0.50
HTR2B P41595 2/20 0.50
HTR2C P28335 1/20 0.50
HTR2A P28223 3/20 0.47
HTR1A P08908 1/20 0.47
DRD3 P35462 2/20 0.46
PAX8 Q06710 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 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
SCHEMBL3948791 0.90 HTR6 (0.51) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL3955838 0.89 HTR6 (0.48) HTR6DRD2HTR7HTR2AHTR1A
SCHEMBL3956475 0.89 HTR6 (0.53) HTR6DRD2DRD3
SCHEMBL3953147 0.87 HTR6 (0.56) HTR6DRD2HTR7HTR2AHTR1A
SCHEMBL3959218 0.83 HTR6 (0.51) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL3956013 0.83 HTR6 (0.52) HTR6DRD2HTR7HTR2AHTR1A
SCHEMBL3959217 0.81 HTR6 (0.49) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL4135821 0.81 HTR6 (0.51) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL3949862 0.78 HTR6 (0.51) HTR6HTR2AALDH1A1
SCHEMBL1136509 0.77 HTR6 (1.00) HTR6DRD2HTR7HTR2BHTR2C

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-7238696-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-07-03 US claimed
CN-1771244-A Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2006-05-10 CN claimed
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 US claimed
US-20090253711-A1 HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-10-08 US disclosed
US-7560470-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-07-14 US disclosed
CN-100422171-C Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2008-10-01 CN disclosed
US-20070232618-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-04 US disclosed
US-7238696-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-07-03 US disclosed
CN-1771244-A Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2006-05-10 CN disclosed
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles 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 (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-20070232618-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands HTR6, HTR2C, HTR3B HTR6 1/4885DRD2 158/4885HTR7 9/4885
US-20090253711-A1 HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR2C, HTR3B HTR6 1/4885DRD2 158/4885HTR7 9/4885
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR2C HTR6 1/4885DRD2 169/4885HTR7 12/4885

“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.