SCHEMBL1012964

SCHEMBL1012964

COc1cc(S(=O)(=O)c2ccc(O)cc2)ccc1[C@@H]1CCN(C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.50
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
QDPR P09417 1/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 3/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HTR5A P47898 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1012965 1.00 HTR6 (0.50) HTR6GAAPKMQDPRMAPK1
SCHEMBL1014141 0.87 HTR6 (0.41) HTR6
SCHEMBL1014142 0.87 HTR6 (0.41) HTR6
SCHEMBL1013449 0.84 RAPGEF4 (0.40) HTR6HTR2AHTR2C
SCHEMBL1013448 0.84 RAPGEF4 (0.40) HTR6HTR2AHTR2C
SCHEMBL1015838 0.83 HTR6 (0.43) HTR6
Hydrochloric Acid SCHEMBL1015783 0.83 HTR6 (0.40) HTR6HTR2AHTR2C
SCHEMBL1016566 0.83 HTR6 (0.43) HTR6
SCHEMBL1014814 0.83 HTR6 (0.43) HTR6
SCHEMBL1015344 0.80 HTR6 (0.51) HTR6GAAPKMMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP claimed
EP-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP claimed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO claimed
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 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 (1 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-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HTR6, HTR1B, HTR1F HTR6 1/4885GAA 4321/4885PKM 1472/4885

“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.