SCHEMBL4141127

SCHEMBL4141127

CN1CCN(c2ccc3c(S(=O)(=O)c4ccccc4)n[nH]c3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.64
DRD2 P14416 3/20 0.64
HTR7 P34969 2/20 0.64
HTR2B P41595 2/20 0.64
HTR2C P28335 1/20 0.64
MAP4K1 Q92918 1/20 0.48
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
DRD3 P35462 2/20 0.46

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
SCHEMBL3948910 0.91 HTR6 (0.67) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL3949549 0.89 DRD3 (0.53) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL3957575 0.87 HTR6 (0.59) HTR6
Hydrochloric Acid SCHEMBL3949846 0.86 HTR6 (0.58) HTR6
SCHEMBL3951228 0.86 SIGMAR1 (0.49) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL3949857 0.82 PIK3CA (0.53) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL3956467 0.80 HTR6 (0.53) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL3948503 0.80 HTR6 (0.52) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL3949874 0.80 HTR6 (0.68) HTR6DRD2HTR7HTR2BHTR2C
SCHEMBL3950225 0.79 HTR6 (0.53) 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.