SCHEMBL5756326

SCHEMBL5756326

O=S(=O)(c1ccc(F)cc1)n1ncc2c(OCCN3CCCCC3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.46
HTR1A P08908 7/20 0.41
HTR7 P34969 7/20 0.41
DRD2 P14416 3/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TSHR P16473 1/20 0.41
LTA4H P09960 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL5753820 0.92 HTR6 (0.55) HTR6HTR7DRD2HRH3TSHR
SCHEMBL4082426 0.91 HTR6 (0.46) HTR6HTR1AHTR7KCNH2HRH3
SCHEMBL4076472 0.88 ALDH1A1 (0.47) HTR6KCNH2HRH3TSHRLTA4H
SCHEMBL4084560 0.82 RAB9A (0.47) HTR6HTR1AHTR7DRD2HRH3
SCHEMBL4075300 0.81 HTR7 (0.45) HTR6HTR1AHTR7DRD2TSHR
SCHEMBL4082363 0.79 TSHR (0.44) HTR6HTR7HRH3TSHRLTA4H
Hydrochloric Acid SCHEMBL5791114 0.77 LTA4H (0.41) HTR6HTR7HRH3TSHRLTA4H
SCHEMBL13708115 0.77 TDP1 (0.52) HTR6HTR7DRD2HRH3TSHR
SCHEMBL4082858 0.76 HTR6 (0.45) HTR6HTR1AHTR7DRD2HRH3
SCHEMBL13812922 0.76 TSHR (0.50) HTR6HTR7DRD2HRH3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353904-B9 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-05-03 EP claimed
EP-1353904-B1 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2005-12-07 EP claimed
US-20040092564-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-05-13 US claimed
US-20040087637-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-05-06 US claimed
EP-1353904-A1 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2003-10-22 EP claimed
US-20030149018-A1 1-aryl- or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-08-07 US claimed
US-6509357-B1 Use there of for the therapeutic treatment of disorders relating to or affected by the 5-HT6 receptor. Various central nervous system disorders such as anxiety, depression, motor disorders, etc., are believed to involve a disturbance of the WYETH 2003-01-21 US claimed
WO-2002059088-A1 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-08-01 WO claimed
EP-1353904-B9 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2006-05-03 EP disclosed
EP-1353904-B1 1-ARYL-OR 1-ALKYLSULFONYLBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2005-12-07 EP disclosed
US-6919354-B2 1-aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-07-19 US disclosed
US-20040092564-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-05-13 US disclosed
US-20040087637-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-05-06 US disclosed
US-6710069-B2 FOR THERAPY OF CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-03-23 US disclosed
US-20030149018-A1 1-aryl- or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-08-07 US disclosed
US-6509357-B1 Use there of for the therapeutic treatment of disorders relating to or affected by the 5-HT6 receptor. Various central nervous system disorders such as anxiety, depression, motor disorders, etc., are believed to involve a disturbance of the WYETH 2003-01-21 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 (3 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-20030149018-A1 1-aryl- or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A HTR6 1/4885HTR1A 3/4885HTR7 12/4885
US-20040087637-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A HTR6 1/4885HTR1A 3/4885HTR7 12/4885
US-20040092564-A1 1-Aryl-or 1-alkylsulfonylbenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR1B, HTR1A HTR6 1/4885HTR1A 3/4885HTR7 12/4885

“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.