SCHEMBL934141

SCHEMBL934141

CC(C)(C)OC(=O)N1CCC(C(=O)C2CCCC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
HPGD P15428 1/20 0.40
EPHX1 P07099 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
KDM1A O60341 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL20594536 0.82 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL28914879 0.82 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL28586371 0.82 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL24367035 0.80 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL18039817 0.79 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL26967961 0.78 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL16489804 0.78 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL3543973 0.76 MEN1 (0.45) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL16492031 0.76 PDE4A (0.44) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL17459681 0.76 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DHPGD

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-2454234-B1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-04-11 EP disclosed
US-9227933-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-01-05 US disclosed
US-20150126577-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-05-07 US disclosed
EP-2454234-A2 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS Theravance, Inc. (US) 2012-05-23 EP disclosed
US-20110257243-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-10-20 US disclosed
US-7994209-B2 3-phenoxymethylpyrrolidine compounds THERAVANCE, INC. (US) 2011-08-09 US disclosed
WO-2011008666-A2 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-01-20 WO disclosed
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-13 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 (3 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-20150126577-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 PDE4B 450/4885PDE4A 331/4885PDE4C 295/4885
US-20110009465-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 PDE4B 450/4885PDE4A 331/4885PDE4C 295/4885
US-20110257243-A1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS HTR6, SLC6A4, SLC6A2 PDE4B 450/4885PDE4A 331/4885PDE4C 295/4885

“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.