SCHEMBL1013398

SCHEMBL1013398

Cc1cc(S)ccc1C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
GPR119 Q8TDV5 3/20 0.46
TP53 P04637 3/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGDS O60760 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL27393884 0.88 GPR119 (0.53) PDE4BMAPTKDM4ETHRBGPR119
SCHEMBL1014743 0.86 PDE4B (0.57) PDE4BMAPTKDM4ETHRBMEN1
SCHEMBL30962613 0.86 NR1H2 (0.49) PDE4BMAPTKDM4ETHRBGPR119
SCHEMBL1015479 0.86 USP30 (0.49) PDE4BMAPTKDM4ETHRBGPR119
SCHEMBL3436375 0.84 HSD11B1 (0.54) PDE4BMAPTKDM4ETHRBGPR119
SCHEMBL1014355 0.81 PDE4B (0.58) PDE4BMAPTKDM4ETHRBGPR119
SCHEMBL1014356 0.81 PDE4B (0.58) PDE4BMAPTKDM4ETHRBGPR119
SCHEMBL30962762 0.80 NR1H2 (0.48) PDE4BKDM4EHPGDSUSP30
SCHEMBL19103521 0.79 KDM4E (0.52) MAPTKDM4ETHRBGPR119TP53
SCHEMBL30493274 0.79 KDM4E (0.52) MAPTKDM4ETHRBGPR119TP53

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 11 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 disclosed
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-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
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
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO 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 PDE4B 1026/4885MAPT 3552/4885KDM4E 1576/4885

“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.