SCHEMBL4069815

SCHEMBL4069815

O=S(=O)(c1ccccc1Cl)c1cn(CC2CCNCC2)c2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.45
PAK1 Q13153 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
IL1B P01584 1/20 0.38
P2RX7 Q99572 1/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.38
HRH2 P25021 1/20 0.37

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
SCHEMBL4074464 0.87 HTR6 (0.58) HTR6
SCHEMBL4077750 0.84 HTR6 (0.42) HTR6HTR2AHTR2CIL1BP2RX7
SCHEMBL4072802 0.84 HTR6 (0.64) HTR6
SCHEMBL27611385 0.82 HTR6 (0.38) HTR6HTR2AHTR2CIL1BP2RX7
SCHEMBL4076469 0.81 HTR6 (0.52) HTR6
SCHEMBL4068821 0.78 HTR6 (0.61) HTR6CHRM1CHRM3
SCHEMBL4073048 0.78 HTR6 (0.46) HTR6
SCHEMBL27611387 0.77 HTR6 (0.37) HTR6IL1BP2RX7CHRM1CHRM3
SCHEMBL5726925 0.76 HTR6 (0.47) HTR6HTR2AHTR2C
SCHEMBL27630691 0.76 HTR6 (0.38) HTR6CHRM1CHRM3CHRM2HRH2

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 1/4885PAK1 2040/4885HTR2A 10/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885PAK1 1586/4885HTR2A 10/4885

“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.