SCHEMBL4484018

SCHEMBL4484018

CCCN1CCN(c2cnc3[nH]cc(S(=O)(=O)c4ccccc4Cl)c3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.48
PAK1 Q13153 1/20 0.47
DRD2 P14416 9/20 0.41
KDM2B Q8NHM5 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
DRD3 P35462 6/20 0.39
HTR7 P34969 4/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
DRD4 P21917 2/20 0.38
CACNA1F O60840 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL4473333 0.88 TNIK (0.39) HTR6PAK1DRD2KDM2BHTR7
SCHEMBL4483917 0.87 HTR6 (0.48) HTR6DRD2SIGMAR1DRD3HTR7
SCHEMBL5879493 0.79 HTR6 (0.43) HTR6DRD2KDM2BSIGMAR1DRD3
SCHEMBL4494237 0.77 DRD2 (0.48) HTR6DRD2HTR2ADRD4
SCHEMBL3949493 0.75 HTR6 (0.56) HTR6DRD2SIGMAR1DRD3HTR7
SCHEMBL4494776 0.70 HTR6 (0.58) HTR6
SCHEMBL4480245 0.67 HTR6 (0.49) HTR6DRD2SIGMAR1DRD3HTR2A
SCHEMBL5879489 0.67 DRD2 (0.47) HTR6DRD2SIGMAR1DRD3HTR7
SCHEMBL5202507 0.66 HTR6 (0.52) HTR6PAK1DRD2SIGMAR1HTR7
SCHEMBL2927674 0.66 DRD2 (0.60) HTR6DRD2SIGMAR1DRD3

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 HTR6 1/4885PAK1 2521/4885DRD2 120/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885PAK1 2833/4885DRD2 108/4885

“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.