SCHEMBL4480306

SCHEMBL4480306

CN1CCN(c2cnc3c(S(=O)(=O)c4ccccc4)c[nH]c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.51
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
DRD2 P14416 3/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
HTR3A P46098 1/20 0.43
FGFR4 P22455 1/20 0.43
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.42
AKT1 P31749 1/20 0.41
PIK3CA P42336 1/20 0.41
MAP4K1 Q92918 1/20 0.41
HPGD P15428 1/20 0.41
HTR2A P28223 3/20 0.40
SLC6A2 P23975 1/20 0.40
PTPN11 Q06124 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL5200831 0.78 HTR6 (0.60) HTR6DRD2HTR2CHTR7HTR2B
SCHEMBL4480373 0.78 HTR6 (0.56) HTR6ALDH1A1L3MBTL1DRD2HTR2C
SCHEMBL28128683 0.76 FFAR2 (0.56) HTR6ALDH1A1HTR2ASLC6A2PTPN11
SCHEMBL5972123 0.73 HTR6 (0.59) HTR6ALDH1A1DRD2HTR2CHTR7
SCHEMBL4483917 0.72 HTR6 (0.48) HTR6DRD2HTR2CHTR7HTR2B
SCHEMBL4494776 0.70 HTR6 (0.58) HTR6
SCHEMBL4488667 0.70 HTR6 (0.57) HTR6ALDH1A1L3MBTL1
SCHEMBL28128723 0.69 MET (0.47) HTR6HTR2CHTR2ASLC6A2
SCHEMBL4483744 0.69 PARP1 (0.46) HTR6ALDH1A1HTR2CHTR7HTR3A
SCHEMBL27512743 0.69 HTR6 (0.57) HTR6ALDH1A1L3MBTL1DRD2HTR2C

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
CN-100482662-C Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2009-04-29 CN claimed
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US claimed
CN-1777602-A Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2006-05-24 CN 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
CN-100482662-C Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2009-04-29 CN 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
CN-1777602-A Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2006-05-24 CN 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 HTR6 1/4885ALDH1A1 1025/4885L3MBTL1 3930/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885ALDH1A1 1229/4885L3MBTL1 4030/4885

“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.