SCHEMBL5239647

SCHEMBL5239647

Cc1c(Cl)cccc1S(=O)(=O)n1cc(CCN)c2ccsc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.40
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
HTR2B P41595 1/20 0.39
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
S1PR1 P21453 1/20 0.37
C5AR1 P21730 1/20 0.37
SLC6A2 P23975 1/20 0.37
FPR3 P25089 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
GPR183 P32249 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL5237008 0.89 HTR6 (0.47) HTR6PTGDR2HTR2CHTR7CYP3A4
SCHEMBL5236566 0.89 HTR6 (0.51) HTR6PTGDR2HTR2CHTR7CYP3A4
SCHEMBL5238968 0.87 HTR6 (0.65) HTR6PTGDR2HTR7HTR1DHTR1B
SCHEMBL5239578 0.81 HTR6 (0.60) HTR6HTR2CHTR7CYP3A4CYP2A6
SCHEMBL5236579 0.81 HTR6 (0.52) HTR6PTGDR2HTR2CHTR7CYP3A4
SCHEMBL5238843 0.78 HTR6 (0.57) HTR6PTGDR2HTR7HTR1DHTR1B
SCHEMBL5239230 0.78 HTR6 (0.67) HTR6PTGDR2HTR2CHTR7CYP3A4
SCHEMBL5239291 0.77 HTR6 (0.66) HTR6PTGDR2HTR7HTR1DHTR1B
SCHEMBL3889494 0.77 HTR6 (0.44) HTR6PTGDR2HTR2CHTR7HTR2A
SCHEMBL5238266 0.77 HTR6 (0.62) HTR6PTGDR2HTR2CHTR7CYP3A4

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 338/4885HTR2C 6/4885
US-20060160878-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885PTGDR2 338/4885HTR2C 6/4885

“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.