SCHEMBL6348652

SCHEMBL6348652

O=S(=O)(c1ccc(Cl)s1)n1ncc2c(OCC3CCCCCN3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.48
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CCR4 P51679 1/20 0.37
CHRNA3 P32297 4/20 0.36
CHRNB4 P30926 2/20 0.36
LTA4H P09960 4/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34

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
SCHEMBL6342667 0.99 HTR6 (0.49) HTR6CHRNB2CHRNA4CCR4CHRNA3
SCHEMBL6348882 0.96 HTR6 (0.51) HTR6CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL6340543 0.84 HTR6 (0.56) HTR6CHRNB2CHRNA4CCR4CHRNA3
SCHEMBL6338391 0.84 CHRNB2 (0.41) HTR6CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL6349132 0.83 CHRNB2 (0.41) HTR6CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL6340349 0.83 HTR6 (0.57) HTR6CHRNB2CHRNA4CCR4CHRNA3
SCHEMBL6338654 0.81 CHRNB2 (0.41) HTR6CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL6340769 0.80 HTR6 (0.60) HTR6CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL6339018 0.80 CHRNB2 (0.44) HTR6CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL6347984 0.80 HTR6 (0.50) HTR6CHRNB2CHRNA4CHRNA3CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065185-A1 Heterocyclylalkoxy-, -alkylthio- and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-03-24 US claimed
US-20030078286-A1 Heterocyclylalkoxy-,-alkylthio-and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-04-24 US claimed
US-20050065185-A1 Heterocyclylalkoxy-, -alkylthio- and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-03-24 US disclosed
US-6831094-B2 For therapy of central nervous system disorders such as anxiety, depression, motor disorders WYETH 2004-12-14 US disclosed
EP-1392682-A2 HETEROCYCLYLALKOXY-, -ALKYLTHIO- AND -ALKYLAMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-03-03 EP disclosed
US-20030078286-A1 Heterocyclylalkoxy-,-alkylthio-and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-04-24 US disclosed
WO-2002085853-A2 HETEROCYCLYLALKOXY-, -ALKYLTHIO- AND -ALKYLAMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-10-31 WO 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-20050065185-A1 Heterocyclylalkoxy-, -alkylthio- and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A HTR6 1/4885CHRNB2 191/4885CHRNA4 184/4885
US-20030078286-A1 Heterocyclylalkoxy-,-alkylthio-and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A HTR6 1/4885CHRNB2 197/4885CHRNA4 192/4885

“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.