SCHEMBL1018705

SCHEMBL1018705

COc1cc(Br)ccc1[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.57
USP30 Q70CQ3 3/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
STS P08842 1/20 0.44
EPHA2 P29317 2/20 0.44
HTT P42858 1/20 0.44
FPR2 P25090 1/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
TP53 P04637 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
SCHEMBL1015416 1.00 PDE4B (0.57) PDE4BUSP30MEN1KMT2AKDM4E
SCHEMBL1015417 1.00 PDE4B (0.57) PDE4BUSP30MEN1KMT2AKDM4E
SCHEMBL30271952 0.91 PDE4B (0.47) PDE4BUSP30KDM4ESTSEPHA2
SCHEMBL20260763 0.86 PDE4B (0.57) PDE4BUSP30MEN1KMT2AKDM4E
SCHEMBL20242579 0.86 PDE4B (0.57) PDE4BUSP30MEN1KMT2AKDM4E
SCHEMBL1014743 0.86 PDE4B (0.57) PDE4BUSP30MEN1KMT2AKDM4E
SCHEMBL1019288 0.86 USP30 (0.52) PDE4BUSP30KDM4EMAPTTHRB
SCHEMBL1013442 0.86 USP30 (0.52) PDE4BUSP30KDM4EMAPTTHRB
SCHEMBL1015479 0.86 USP30 (0.49) PDE4BUSP30KDM4EMAPTTHRB
SCHEMBL1013443 0.86 USP30 (0.52) PDE4BUSP30KDM4EMAPTTHRB

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 5 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
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 PDE4B 1026/4885USP30 4016/4885MEN1 1640/4885

“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.