SCHEMBL6477477

SCHEMBL6477477

CCOC(=O)C(=O)c1cc(-c2ccccc2)c2n1CCC2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.51
PDE3A Q14432 8/20 0.51
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5 P09917 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNK3 O14649 2/20 0.39

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
SCHEMBL22308111 0.80 PDE3B (0.58) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL21810330 0.78 PDE3B (0.50) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL21810002 0.76 PDE3B (0.55) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL21810200 0.74 PDE3B (0.47) PDE3BPDE3AGAAMAPK1ALDH1A1
SCHEMBL6475634 0.74 MEN1 (0.48) MEN1KMT2AALOX5
SCHEMBL22308112 0.73 PDE3B (0.60) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL6477062 0.72 HPGD (0.43) MEN1KMT2ALMNAALOX5ALDH1A1
SCHEMBL5281256 0.72 ALOX5 (0.43) PDE3BPDE3AMEN1KMT2AGAA
SCHEMBL31486653 0.72 GAA (0.56) PDE3BPDE3AMEN1KMT2ALMNA
SCHEMBL21809722 0.69 PDE3B (0.43) PDE3BPDE3ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 US disclosed
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2004-06-24 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-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 PDE3B 673/4885PDE3A 658/4885MEN1 4000/4885

“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.