SCHEMBL5046308

SCHEMBL5046308

COc1ccc2c(c1)CCC(=O)NC2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
DRD1 P21728 3/20 0.46
DRD5 P21918 3/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
METAP1 P53582 2/20 0.45
BCL2 P10415 1/20 0.45
GAA P10253 1/20 0.44
CHRNA7 P36544 1/20 0.44
CYP19A1 P11511 2/20 0.44
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.42
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MIF P14174 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
SCHEMBL7439499 0.93 PDE3B (0.54) PDE3BPDE3ADRD1DRD5DRD2
SCHEMBL13506283 0.85 PDE3B (0.55) PDE3BPDE3ADRD1DRD5DRD2
SCHEMBL12079387 0.80 PDE3B (0.61) PDE3BPDE3AMETAP1BCL2GAA
SCHEMBL2607471 0.78 DRD1 (0.62) DRD1DRD5DRD2DRD3METAP1
SCHEMBL2062199 0.77 DRD1 (0.54) DRD1DRD5DRD2DRD3METAP1
SCHEMBL5044544 0.75 DRD2 (0.53) PDE3BPDE3ADRD1DRD5DRD2
SCHEMBL1764375 0.75 PKM (0.65) PDE3BPDE3AMAOBMAOAALDH1A1
SCHEMBL703728 0.75 MAOB (0.58) PDE3BPDE3AMAOBMAOA
SCHEMBL29724095 0.75 MAOB (0.58) PDE3BPDE3AMAOBMAOA
SCHEMBL1263806 0.74 ASIC3 (0.55) METAP1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680127-B1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
US-20070117791-A1 Bicyclic compounds JOLIDON SYNESE 2007-05-24 US disclosed
US-7173023-B2 Bicyclic compounds HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
EP-1680127-A1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
US-20050107360-A1 Bicyclic compounds HOFFMANN-LA ROCHE INC. 2005-05-19 US disclosed
WO-2005039591-A1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 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 (2 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-20050107360-A1 Bicyclic compounds MAOB, MAOA, XDH PDE3B 392/4885PDE3A 504/4885DRD1 182/4885
US-20070117791-A1 Bicyclic compounds MAOB, MAOA, XDH PDE3B 337/4885PDE3A 405/4885DRD1 179/4885

“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.