SCHEMBL3584591

SCHEMBL3584591

CCOC(=O)N1CCc2c(cnc3nc(CO)nn23)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
MAP3K5 Q99683 6/20 0.36
KDM4E B2RXH2 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A15 Q9H2J7 1/20 0.35

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
SCHEMBL3636057 0.84 GRM5 (0.37) GRM5CYP3A4CYP1A2CACNA1CSCN5A
SCHEMBL5373836 0.74 MAP3K5 (0.31) MAP3K5KDM4ESLC6A15
SCHEMBL30405301 0.72 HSP90AA1 (0.49) HSP90AA1HSP90B1MAPTSMN1; SMN2
SCHEMBL13404843 0.72 HTR6 (0.32)
SCHEMBL6409553 0.71 RXFP1 (0.30) RXFP1
SCHEMBL3596203 0.71 RXFP1 (0.30) RXFP1
SCHEMBL3596205 0.71 RXFP1 (0.30) RXFP1
SCHEMBL30805586 0.68 MAPT (0.63) HSP90AA1HSP90B1MAP3K5MAPT
SCHEMBL21528039 0.68 MAPT (0.63) HSP90AA1HSP90B1MAP3K5MAPT
SCHEMBL15926459 0.68 SMN1; SMN2 (0.44) ALDH1A1HSP90AA1HSP90B1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 US disclosed
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 US disclosed
EP-1885358-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D ß-LACTAMASES INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-02-13 EP disclosed
WO-2007030166-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D β-LACTAMASES INHIBITORS WYETH (US) 2007-03-15 WO disclosed
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE INHIBITORS WYETH (US) 2003-11-13 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 (5 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 GRM5 3555/4885CYP3A4 255/4885CYP1A2 144/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP GRM5 4111/4885CYP3A4 390/4885CYP1A2 161/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP GRM5 4111/4885CYP3A4 390/4885CYP1A2 161/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM GRM5 4224/4885CYP3A4 355/4885CYP1A2 229/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP GRM5 4217/4885CYP3A4 362/4885CYP1A2 159/4885

“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.