SCHEMBL4076469

SCHEMBL4076469

O=S(=O)(c1ccc(F)cc1)c1cn(CC2CCNCC2)c2cc(Cl)ccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.52
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 1/20 0.42
KCNH2 Q12809 1/20 0.41
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL4068821 0.90 HTR6 (0.61) HTR6HTR1ACNR1CNR2
SCHEMBL4074464 0.85 HTR6 (0.58) HTR6
SCHEMBL4073065 0.84 HTR6 (0.47) HTR6GAAMAPTTP53POLB
SCHEMBL4072802 0.82 HTR6 (0.64) HTR6
SCHEMBL27611381 0.82 HTR6 (0.41) HTR6GAAMAPTHTR1AKCNH2
SCHEMBL27611383 0.81 HTR6 (0.39) HTR6GAAMAPTHTR1AKCNH2
SCHEMBL4074288 0.81 HTR6 (0.52) HTR6MAPTRXFP1CNR1CNR2
SCHEMBL4069815 0.81 HTR6 (0.45) HTR6
SCHEMBL4077566 0.78 HTR6 (0.56) HTR6
SCHEMBL4072753 0.77 HTR6 (0.52) HTR6CNR1CNR2

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.