SCHEMBL5037559

SCHEMBL5037559

CCCCCCN1C(=O)CN=C(c2cccc(C(N)=O)c2)c2cc(-c3ccccc3OC)c(OC)cc21

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.64
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 5/20 0.40
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.39
ICMT O60725 2/20 0.39
CNR2 P34972 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL5034686 0.94 PDE2A (0.68) PDE2AHDAC3HDAC1HDAC8HDAC6
SCHEMBL6031160 0.88 PDE2A (0.51) PDE2AHDAC3HDAC1HDAC8HDAC6
SCHEMBL5034961 0.88 PDE2A (0.68) PDE2AHDAC3HDAC1HDAC8HDAC6
SCHEMBL5038881 0.86 PDE2A (0.67) PDE2ATP53MAPTPTGDR2
SCHEMBL5034662 0.86 PDE2A (0.86) PDE2AHDAC3HDAC1HDAC8HDAC6
SCHEMBL5037251 0.85 GABRA1 (0.46) PDE2AHDAC3HDAC1HDAC8HDAC6
SCHEMBL4707980 0.85 PDE2A (0.67) PDE2AHDAC3HDAC1HDAC8HDAC6
SCHEMBL4708304 0.81 PDE2A (0.66) PDE2AMEN1KMT2ATP53MAPT
SCHEMBL6031121 0.81 PDE2A (0.82) PDE2AHDAC1FAAHDRD2DRD3
SCHEMBL5034965 0.80 PDE2A (0.79) PDE2AHDAC3HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410963-B2 To treat diseases associated with abnormal regulation of intracellular cAMP and/or cGMP rate and abnormal regulation of neurotransmitter effect, with no perturbating effect on memory; autoinflammatory disorders; 3-(8-Methoxy-1-methyl-2-oxo-7-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl)-benzonitrile VIA PHARMACEUTICALS, INC. (US) 2008-08-12 US claimed
US-20070123519-A1 Benzo-1,4-diazepin-2-one derivatives as phosphodiesterase pde2 inhibitors, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2007-05-31 US claimed
EP-1697332-A1 BENZO'1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF NEURO3D (FR) 2006-09-06 EP claimed
WO-2005063723-A1 BENZO`1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF NEURO3D (FR) 2005-07-14 WO claimed
EP-1548011-A1 Benzo[1,4]diazepin-2-one derivatives as phosphodiesterase PDE2 inhibitors, preparation and therapeutic use thereof NEURO3D (FR) 2005-06-29 EP claimed
US-7410963-B2 To treat diseases associated with abnormal regulation of intracellular cAMP and/or cGMP rate and abnormal regulation of neurotransmitter effect, with no perturbating effect on memory; autoinflammatory disorders; 3-(8-Methoxy-1-methyl-2-oxo-7-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl)-benzonitrile VIA PHARMACEUTICALS, INC. (US) 2008-08-12 US disclosed
US-20070123519-A1 Benzo-1,4-diazepin-2-one derivatives as phosphodiesterase pde2 inhibitors, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2007-05-31 US disclosed
EP-1548011-A1 Benzo[1,4]diazepin-2-one derivatives as phosphodiesterase PDE2 inhibitors, preparation and therapeutic use thereof NEURO3D (FR) 2005-06-29 EP 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-20070123519-A1 Benzo-1,4-diazepin-2-one derivatives as phosphodiesterase pde2 inhibitors, preparation and therapeutic use thereof PDE12, PDE2A, PDE3A PDE2A 2/4885HDAC3 232/4885HDAC1 147/4885

“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.