SCHEMBL6339079

SCHEMBL6339079

O=S(=O)(c1ccccc1F)n1ncc2c(OCC3CCCCN3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
SLC6A2 P23975 1/20 0.40
LTA4H P09960 6/20 0.39
HTR6 P50406 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
SCHEMBL6338654 0.99 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A2
SCHEMBL6338663 0.97 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A2
SCHEMBL6349132 0.89 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A2
SCHEMBL6338391 0.88 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A2
SCHEMBL6339018 0.86 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A2
SCHEMBL6347984 0.84 HTR6 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3HTR6
SCHEMBL6347964 0.83 HTR6 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3LTA4H
SCHEMBL6344779 0.83 HTR6 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3LTA4H
SCHEMBL6339816 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3HTR6
SCHEMBL6341386 0.80 HTR6 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3SLC6A2

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 5 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
US-20030078286-A1 Heterocyclylalkoxy-,-alkylthio-and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-04-24 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-20050065185-A1 Heterocyclylalkoxy-, -alkylthio- and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A CHRNB2 191/4885CHRNA4 184/4885CHRNB4 211/4885
US-20030078286-A1 Heterocyclylalkoxy-,-alkylthio-and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A CHRNB2 197/4885CHRNA4 192/4885CHRNB4 221/4885

“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.