SCHEMBL5239526

SCHEMBL5239526

CN(C)CCc1cn(S(=O)(=O)c2cccc3cccnc23)c2sccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.61
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.40
HTR7 P34969 2/20 0.40
DRD3 P35462 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GFER P55789 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL5237374 0.87 HTR6 (0.43) HTR6HSD17B10TSHRHTR7ALDH1A1
SCHEMBL5239301 0.85 HTR6 (0.71) HTR6HTR7DRD3HTR1ADRD2
SCHEMBL5239291 0.80 HTR6 (0.66) HTR6HTR7DRD3HTR1ADRD2
SCHEMBL5240844 0.79 HTR6 (0.72) HTR6HTR7DRD3HTR1ADRD2
SCHEMBL5239378 0.79 HTR6 (0.72) HTR6HTR7DRD3HTR1ADRD2
SCHEMBL5240084 0.79 MAPT (0.43) HTR6HSD17B10TSHRALDH1A1HPGD
SCHEMBL5238968 0.79 HTR6 (0.65) HTR6HTR7DRD3HTR1ADRD2
SCHEMBL5236273 0.77 HTR6 (0.68) HTR6HTR7DRD3HTR1ADRD2
SCHEMBL5236161 0.77 HTR6 (1.00) HTR6HTR7DRD3HTR1ADRD2
SCHEMBL5237832 0.76 HTR6 (0.73) HTR6HTR7DRD3HTR1ADRD2

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
EP-1648904-B1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-22 EP claimed
US-7220756-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-22 US claimed
JP-2007500701-A 2007-01-18 JP claimed
US-20060160878-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-07-20 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 1/4885HSD17B10 2903/4885TSHR 183/4885
US-20060160878-A1 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885HSD17B10 2903/4885TSHR 183/4885

“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.