SCHEMBL4073065

SCHEMBL4073065

O=S(=O)(c1ccc(F)cc1)c1cn(CC2CCCCN2)c2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.47
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AVPR1A P37288 1/20 0.40
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4817289 0.87 GAA (0.38) HTR6GAAMAPTTP53POLB
SCHEMBL4076469 0.84 HTR6 (0.52) HTR6GAAMAPTTP53POLB
SCHEMBL4075071 0.83 HTR6 (0.56) HTR6
SCHEMBL27630606 0.83 AVPR1A (0.37) HTR6AVPR1ALMNAHTR1ACYP2D6
SCHEMBL27630607 0.82 AVPR1A (0.37) HTR6AVPR1ALMNAHTR1ACYP2D6
SCHEMBL4077750 0.82 HTR6 (0.42) HTR6AVPR1AHTR1ACYP2D6DRD2
SCHEMBL4076859 0.80 HTR6 (0.48) HTR6HTR1ACYP2D6DRD2HTR1D
SCHEMBL4076902 0.78 HTR6 (0.53) HTR6
SCHEMBL13335286 0.77 HTR6 (0.59) HTR6HTR2A
SCHEMBL4816492 0.75 HTR6 (0.45) HTR6HTR1ACYP2D6DRD2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589108-B2 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-15 US disclosed
US-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-09 US disclosed
US-6995176-B2 1-heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-07 US disclosed
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 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-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR5A HTR6 1/4885GAA 3906/4885MAPT 1074/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885GAA 4354/4885MAPT 1286/4885

“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.