SCHEMBL4473333

SCHEMBL4473333

CCCN1CCN(c2cnc3[nH]cc(S(=O)(=O)c4ccc(F)cc4Cl)c3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.39
PAK1 Q13153 1/20 0.38
HTR6 P50406 4/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
AKR1B1 P15121 1/20 0.36
DRD2 P14416 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAP4K1 Q92918 2/20 0.35
CCR1 P32246 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL4484018 0.88 HTR6 (0.48) PAK1HTR6LMNAHTR1AHTR2A
SCHEMBL4483917 0.81 HTR6 (0.48) HTR6LMNAHTR7DRD2
SCHEMBL4494237 0.71 DRD2 (0.48) TNIKHTR6HTR2ADRD2ALDH1A1
SCHEMBL5879493 0.70 HTR6 (0.43) HTR6DRD2KDM2B
SCHEMBL3949493 0.66 HTR6 (0.56) HTR6HTR7DRD2
SCHEMBL4494776 0.65 HTR6 (0.58) HTR6
SCHEMBL4485307 0.63 HTR6 (0.49) HTR6LMNAALDH1A1
SCHEMBL5879489 0.63 DRD2 (0.47) HTR6MAPTLMNAHTR7DRD2
SCHEMBL5972080 0.62 HTR6 (0.52) HTR6MAPTHTR7DRD2
SCHEMBL5915112 0.62 DRD2 (0.68) MAPTLMNAHTR1AHTR2ADRD2

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 TNIK 1798/4885PAK1 2521/4885HTR6 1/4885
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C TNIK 1742/4885PAK1 2833/4885HTR6 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.