SCHEMBL4077750

SCHEMBL4077750

O=S(=O)(c1ccccc1Cl)c1cn(CC2CCCCN2)c2cc(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.42
HTR2C P28335 2/20 0.38
HTR1A P08908 2/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
P2RX7 Q99572 3/20 0.38
IL1B P01584 2/20 0.38
HTR2A P28223 2/20 0.37
AVPR1A P37288 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP2D6 P10635 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1D P28221 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4819231 0.85 HTR6 (0.38) HTR6HTR2CHTR1AHTR1BHTR1F
SCHEMBL4075071 0.84 HTR6 (0.56) HTR6
SCHEMBL4069815 0.84 HTR6 (0.45) HTR6HTR2CP2RX7IL1BHTR2A
SCHEMBL28753571 0.82 MAPT (0.35) HTR6HTR1AP2RX7IL1BHTR2A
SCHEMBL4073065 0.82 HTR6 (0.47) HTR6HTR1AHTR2AAVPR1ACYP2D6
SCHEMBL4074804 0.79 HTR6 (0.45) HTR6
SCHEMBL28753572 0.78 CACNA2D1 (0.38) HTR6HTR1AP2RX7IL1BHTR2A
SCHEMBL4817289 0.77 GAA (0.38) HTR6
SCHEMBL27611701 0.77 HTR6 (0.36) HTR6HTR1AHTR2AAVPR1AHTR1D
SCHEMBL4076902 0.75 HTR6 (0.53) HTR6

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 1/4885HTR2C 4/4885HTR1A 5/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885HTR2C 4/4885HTR1A 3/4885

“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.