SCHEMBL4494237

SCHEMBL4494237

O=S(=O)(c1ccccc1)c1c[nH]c2ncc(N3CCN(Cc4ccccc4)CC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
MET P08581 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.46
DRD4 P21917 2/20 0.44
HTR6 P50406 5/20 0.44
TNIK Q9UKE5 1/20 0.43
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.40

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 0.87 HTR6 (0.48) DRD2METPIK3C3HTR6THRB
SCHEMBL4494776 0.84 HTR6 (0.58) METPIK3C3HTR6
SCHEMBL4478910 0.80 HTR6 (0.44) DRD2METDRD4HTR6THRB
SCHEMBL5879490 0.78 DRD2 (0.49) DRD2DRD4HTR6THRBL3MBTL1
SCHEMBL4484018 0.77 HTR6 (0.48) DRD2DRD4HTR6HTR2A
SCHEMBL4476828 0.76 CA12 (0.52) DRD2METDRD4HTR6HTR2A
SCHEMBL4485307 0.74 HTR6 (0.49) METPIK3C3HTR6KDM4EALDH1A1
SCHEMBL4482698 0.72 DRD2 (0.46) DRD2HTR6MAPK1
SCHEMBL3956975 0.72 DRD2 (0.54) DRD2DRD4HTR6L3MBTL1KDM4E
SCHEMBL16913783 0.71 MET (0.62) METPIK3C3HTR6TNIK

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 DRD2 120/4885MET 1084/4885PIK3C3 3771/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C DRD2 108/4885MET 1152/4885PIK3C3 3692/4885

“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.