SCHEMBL5236579

SCHEMBL5236579

NCCc1cn(S(=O)(=O)c2ccccc2F)c2sccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 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
SCHEMBL5236566 0.87 HTR6 (0.51) HTR6PTGDR2CYP3A4CYP2A6HTR2C
SCHEMBL5238961 0.86 HTR6 (0.48) HTR6PTGDR2CYP3A4CYP2A6HTR2C
SCHEMBL5240844 0.86 HTR6 (0.72) HTR6HTR7
SCHEMBL5239578 0.86 HTR6 (0.60) HTR6CYP3A4CYP2A6HTR2CHTR7
SCHEMBL5238805 0.84 HTR6 (0.72) HTR6PTGDR2HTR7
SCHEMBL5237008 0.82 HTR6 (0.47) HTR6PTGDR2CYP3A4CYP2A6HTR2C
SCHEMBL5239647 0.81 HTR6 (0.47) HTR6PTGDR2CYP3A4CYP2A6HTR2C
SCHEMBL5237874 0.80 HTR6 (0.55) HTR6PTGDR2HTR2CHTR7
SCHEMBL5240272 0.80 HTR6 (0.51) HTR6PTGDR2CYP3A4CYP2A6HTR2C
SCHEMBL5237374 0.79 HTR6 (0.43) HTR6CYP3A4CYP2A6HTR2CHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648904-B1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-22 EP claimed
JP-2007500701-A 2007-01-18 JP claimed
US-7041695-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-05-09 US claimed
EP-1648904-A1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-04-26 EP claimed
US-20050038088-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-02-17 US claimed
WO-2005012311-A1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-02-10 WO claimed
EP-1648904-B1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-22 EP disclosed
US-7220756-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-22 US disclosed
US-20060160878-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-07-20 US disclosed
US-7041695-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-05-09 US disclosed
EP-1648904-A1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-04-26 EP disclosed
US-20050038088-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-02-17 US disclosed
WO-2005012311-A1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-02-10 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-20050038088-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885PTGDR2 338/4885CYP3A4 1112/4885
US-20060160878-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885PTGDR2 338/4885CYP3A4 1112/4885

“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.