SCHEMBL3949549

SCHEMBL3949549

CCCN1CCN(c2ccc3c(S(=O)(=O)c4ccccc4)n[nH]c3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.53
DRD2 P14416 10/20 0.52
HTR6 P50406 10/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
HTR2B P41595 1/20 0.51
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 2/20 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
SCHEMBL3956467 0.92 HTR6 (0.53) DRD3DRD2HTR6HTR2CHTR7
SCHEMBL4141127 0.89 HTR6 (0.64) DRD3DRD2HTR6HTR2CHTR7
SCHEMBL3951228 0.88 SIGMAR1 (0.49) DRD3DRD2HTR6HTR2CHTR7
SCHEMBL3957575 0.83 HTR6 (0.59) HTR6
Hydrochloric Acid SCHEMBL3949846 0.82 HTR6 (0.58) HTR6
SCHEMBL3948910 0.80 HTR6 (0.67) DRD3DRD2HTR6HTR2CHTR7
SCHEMBL28942434 0.80 HTR6 (0.45) DRD2HTR6HTR2CHTR7HTR2B
SCHEMBL3948206 0.78 DRD2 (0.53) DRD3DRD2HTR6SIGMAR1HRH3
SCHEMBL3949857 0.78 PIK3CA (0.53) DRD2HTR6HTR2CHTR7HTR2B
SCHEMBL3949493 0.78 HTR6 (0.56) DRD3DRD2HTR6HTR2CHTR7

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 7 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
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
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
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 DRD3 254/4885DRD2 158/4885HTR6 1/4885
US-20090253711-A1 HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR2C, HTR3B DRD3 254/4885DRD2 158/4885HTR6 1/4885
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR2C DRD3 243/4885DRD2 169/4885HTR6 1/4885

“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.