SCHEMBL3898313

SCHEMBL3898313

NCCc1cn(S(=O)(=O)c2ccc(F)c(F)c2)c2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.52
ALDH3A1 P30838 1/20 0.49
GLO1 Q04760 1/20 0.41
CCKAR P32238 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL3890023 0.88 HTR6 (0.55) HTR6
SCHEMBL3891244 0.86 HTR6 (0.65) HTR6
SCHEMBL3899487 0.85 HTR6 (0.53) HTR6GLO1
SCHEMBL3888270 0.85 HTR6 (0.69) HTR6
SCHEMBL3889441 0.84 HTR6 (0.66) HTR6
SCHEMBL3886819 0.84 HTR6 (0.49) HTR6
SCHEMBL3889123 0.83 HTR6 (0.55) HTR6
SCHEMBL3886924 0.83 HTR6 (0.51) HTR6
SCHEMBL3893668 0.82 HTR6 (0.52) HTR6ALDH3A1CCKARPTGDR2
SCHEMBL3889828 0.81 HTR6 (0.51) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 US claimed
EP-1456206-B1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2008-05-21 EP claimed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 US claimed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 US claimed
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 US claimed
US-6800640-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-10-05 US claimed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 US claimed
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 US disclosed
EP-1456206-B1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2008-05-21 EP disclosed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 US disclosed
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 US disclosed
US-6800640-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-10-05 US disclosed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 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-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885ALDH3A1 1970/4885GLO1 4242/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 HTR6 1/4885ALDH3A1 2074/4885GLO1 4374/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 HTR6 1/4885ALDH3A1 2074/4885GLO1 4374/4885

“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.