SCHEMBL4709486

SCHEMBL4709486

COc1cc2c(cc1OC)N(C)C(=O)CN=C2c1cncc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
GABRA1 P14867 7/20 0.43
GABRA5 P31644 7/20 0.43
GABRA2 P47869 6/20 0.43
GABRB2 P47870 5/20 0.43
GABRA3 P34903 6/20 0.42
GABRG2 P18507 5/20 0.42
GABRB3 P28472 5/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
CACNA1F O60840 1/20 0.42
ALB P02768 1/20 0.42
GABRB1 P18505 1/20 0.42
OPRK1 P41145 1/20 0.42
AKR1C3 P42330 1/20 0.42
GABRA4 P48169 1/20 0.42
AKR1C2 P52895 1/20 0.42
GABRE P78334 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
SCHEMBL5489050 0.82 PDE2A (0.58) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL5485857 0.80 PDE2A (0.54) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL5360424 0.79 PDE2A (0.66) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL4709536 0.77 CYP11B1 (0.58) PDE2ACYP11B1CYP11B2GABRA1GABRA5
SCHEMBL5491469 0.77 PDE2A (0.48) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL5493277 0.77 KDM4E (0.49) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL5493370 0.77 PDE2A (0.48) PDE2AGABRA1GABRA5GABRA2GABRB2
Dimethylamine SCHEMBL5493029 0.77 PDE2A (0.65) PDE2AGABRA1GABRA5GABRA2GABRB2
SCHEMBL5490269 0.76 PDE2A (0.64) PDE2ACYP11B1CYP11B2GABRA1GABRA5
SCHEMBL5496998 0.76 PDE2A (0.67) PDE2AGABRA1GABRA5GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556055-B1 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE AND THEIR USE IN THERAPY VIA PHARMACEUTICALS INC (US) 2008-10-29 EP claimed
US-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses NEURO3D (FR) 2006-06-15 US claimed
JP-2006509832-A 2006-03-23 JP claimed
EP-1556055-A2 USE OF CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE IN THERAPY NEURO3D (FR) 2005-07-27 EP claimed
WO-2004041258-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES NEURO3D (FR) 2004-05-21 WO claimed
EP-1556055-B1 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE AND THEIR USE IN THERAPY VIA PHARMACEUTICALS INC (US) 2008-10-29 EP disclosed
US-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses NEURO3D (FR) 2006-06-15 US disclosed
EP-1556055-A2 USE OF CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE IN THERAPY NEURO3D (FR) 2005-07-27 EP disclosed
WO-2004041258-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES NEURO3D (FR) 2004-05-21 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 (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-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses PDE7A, PDE4A, PDE4B PDE2A 5/4885CYP11B1 249/4885CYP11B2 115/4885

“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.