SCHEMBL6339394

SCHEMBL6339394

O=S(=O)(c1ccccc1)n1ccc2cc(OCC3CCCN3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
DRD3 P35462 1/20 0.48
LTA4H P09960 5/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP3A4 P08684 1/20 0.46

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
SCHEMBL6347948 0.92 MEN1 (0.56) HTR6CHRNB2CHRNA4DRD3LTA4H
SCHEMBL6349217 0.82 LTA4H (0.47) CHRNB2CHRNA4LTA4H
SCHEMBL6339061 0.78 HTR6 (0.59) HTR6
SCHEMBL6347956 0.78 HTR6 (0.59) HTR6
SCHEMBL6339458 0.78 LTA4H (0.47) CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL6174801 0.78 HTR6 (0.58) HTR6
Hydrochloric Acid SCHEMBL6174795 0.78 HTR6 (0.58) HTR6
Hydrochloric Acid SCHEMBL6414954 0.78 HTR6 (0.58) HTR6
SCHEMBL6339466 0.76 HTR6 (0.60) HTR6
SCHEMBL707042 0.76 HDAC1 (0.74) HTR6POLBL3MBTL1HDAC1HDAC6

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-6831094-B2 For therapy of central nervous system disorders such as anxiety, depression, motor disorders WYETH 2004-12-14 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 HTR6 1/4885POLB 4550/4885L3MBTL1 3286/4885
US-20030078286-A1 Heterocyclylalkoxy-,-alkylthio-and -alkylaminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A HTR6 1/4885POLB 4611/4885L3MBTL1 3137/4885

“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.