SCHEMBL6339458

SCHEMBL6339458

O=S(=O)(c1ccccc1)n1ncc2ccc(OCC3CCCN3)cc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNA3 P32297 4/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRND Q07001 1/20 0.45

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
SCHEMBL6349217 0.92 LTA4H (0.47) LTA4HCHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL6347948 0.82 MEN1 (0.56) LTA4HCHRNB2CHRNA4
SCHEMBL6347984 0.79 HTR6 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1
SCHEMBL6339394 0.78 HTR6 (0.56) LTA4HCHRNB2CHRNA4
SCHEMBL6503141 0.75 PRKCZ (0.48) CHRNB2CHRNA4
SCHEMBL4650621 0.74 LTA4H (0.48) LTA4HCHRNB2CHRNA4CHRNA3CHRNB4
Trifluoroacetic Acid SCHEMBL6346564 0.73 HTR6 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL3594404 0.72 CHRNB2 (0.56) LTA4HCHRNB2CHRNA4CHRNA3
SCHEMBL3594400 0.72 CHRNB2 (0.56) LTA4HCHRNB2CHRNA4CHRNA3
SCHEMBL6348666 0.71 HTR6 (0.49) CHRNB2CHRNA4CHRNA3CHRNB4

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 9 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
EP-1392682-A2 HETEROCYCLYLALKOXY-, -ALKYLTHIO- AND -ALKYLAMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-03-03 EP claimed
US-20030078286-A1 Heterocyclylalkoxy-,-alkylthio-and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-04-24 US claimed
WO-2002085853-A2 HETEROCYCLYLALKOXY-, -ALKYLTHIO- AND -ALKYLAMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-10-31 WO 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 LTA4H 372/4885CHRNB2 191/4885CHRNA4 184/4885
US-20030078286-A1 Heterocyclylalkoxy-,-alkylthio-and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A LTA4H 368/4885CHRNB2 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.