SCHEMBL4490838

SCHEMBL4490838

CCCN1CCN(c2nccc3[nH]cc(S(=O)(=O)c4ccccc4)c23)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.52
HTR2A P28223 12/20 0.52
HTR6 P50406 5/20 0.51
HTR2C P28335 1/20 0.51
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4483917 0.73 HTR6 (0.48) HTR6HTR2CDRD2
SCHEMBL4480245 0.72 HTR6 (0.49) SLC6A2HTR2AHTR6HTR2CDRD2
SCHEMBL5203323 0.72 HTR6 (0.80) SLC6A2HTR2AHTR6HTR2CDRD2
SCHEMBL5879489 0.71 DRD2 (0.47) HTR6HTR2CDRD2ALDH1A1L3MBTL1
SCHEMBL3574301 0.70 SLC6A2 (0.85) SLC6A2HTR2AHTR6HTR2C
SCHEMBL4488667 0.69 HTR6 (0.57) HTR6ALDH1A1L3MBTL1
SCHEMBL3569967 0.68 HTR2A (1.00) SLC6A2HTR2AHTR6HTR2C
SCHEMBL3948206 0.68 DRD2 (0.53) SLC6A2HTR2AHTR6DRD2
SCHEMBL4476828 0.68 CA12 (0.52) SLC6A2HTR2AHTR6DRD2ALDH1A1
SCHEMBL3573920 0.68 HTR2A (1.00) SLC6A2HTR2AHTR6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US 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 SLC6A2 49/4885HTR2A 8/4885HTR6 1/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C SLC6A2 40/4885HTR2A 7/4885HTR6 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.