SCHEMBL1012489

SCHEMBL1012489

CN1CCC(c2ccc(S(=O)(=O)c3ccc4[nH]ncc4c3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.44
HTR6 P50406 9/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
CHRM5 P08912 2/20 0.41
ROCK1 Q13464 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 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
SCHEMBL1012488 1.00 ROCK2 (0.44) ROCK2HTR6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1015819 0.99 ROCK2 (0.43) ROCK2HTR6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1015820 0.99 ROCK2 (0.43) ROCK2HTR6SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL4070356 0.91 HTR6 (0.41) ROCK2HTR6CHRM5CCNCCDK8
SCHEMBL1014209 0.86 ROCK2 (0.42) ROCK2HTR6SLC6A2SLC6A4SLC6A3
SCHEMBL1013491 0.86 ROCK2 (0.42) ROCK2HTR6SLC6A2SLC6A4SLC6A3
SCHEMBL13210994 0.85 ROCK2 (0.42) ROCK2GLRA3GLRBCHRM5CCNC
SCHEMBL1015925 0.84 ROCK2 (0.43) ROCK2HTR6CHRM5ROCK1
SCHEMBL1016106 0.80 PIK3CD (0.49) ROCK2CCNCCDK8
SCHEMBL1016108 0.80 PIK3CD (0.49) ROCK2CCNCCDK8

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
EP-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 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 (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 ROCK2 2379/4885HTR6 1/4885SLC6A2 75/4885

“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.