SCHEMBL2535872

SCHEMBL2535872

CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
USP30 Q70CQ3 1/20 0.45
CTSK P43235 4/20 0.44
CTSB P07858 3/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 2/20 0.44
CPB1 P15086 1/20 0.43
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
STS P08842 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NTSR1 P30989 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL13737268 0.90 PDE4B (0.50) PDE4BUSP30CTSKCTSBCTSL
SCHEMBL13737266 0.90 PDE4B (0.50) PDE4BUSP30CTSKCTSBCTSL
SCHEMBL4376239 0.87 CTSK (0.48) CTSKCTSBCTSSCTSLCPB1
SCHEMBL20479379 0.87 PDE4B (0.55) PDE4BUSP30CTSKCTSBCTSL
SCHEMBL20479380 0.87 PDE4B (0.55) PDE4BUSP30CTSKCTSBCTSL
SCHEMBL10239796 0.86 PDE4B (0.50) PDE4BUSP30CTSKCTSBCTSL
SCHEMBL20479586 0.86 PDE4B (0.47) PDE4BUSP30CTSKCPB1BACE1
SCHEMBL20479584 0.86 PDE4B (0.47) PDE4BUSP30CTSKCPB1BACE1
SCHEMBL2534965 0.86 PDE4B (0.47) PDE4BUSP30CTSKCPB1BACE1
SCHEMBL18342270 0.86 PDE4B (0.47) PDE4BUSP30CTSKCPB1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R PDE4B 805/4885USP30 4573/4885CTSK 4712/4885

“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.