SCHEMBL5034879

SCHEMBL5034879

COc1cc2c(cc1Br)C(c1cccc(C#N)c1)=NCC(=O)N2C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.61
GABRA5 P31644 8/20 0.61
GABRA2 P47869 8/20 0.61
GABRG2 P18507 7/20 0.61
GABRB3 P28472 7/20 0.61
GABRA3 P34903 7/20 0.61
PDE2A O00408 2/20 0.55
GABRB2 P47870 6/20 0.50
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
CACNA1F O60840 1/20 0.45
ALB P02768 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL4707479 0.93 GABRA1 (0.64) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL4708535 0.91 GABRA1 (0.62) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL5034659 0.89 GABRA1 (0.61) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL5037298 0.89 PDE2A (0.70) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL5038946 0.89 GABRA1 (0.60) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL5042466 0.88 PDE2A (0.64) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL5042416 0.88 GABRA1 (0.59) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL5037229 0.87 GABRA1 (0.60) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL5037514 0.86 PDE2A (0.66) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL5044339 0.85 PDE2A (0.58) GABRA1GABRA5GABRA2GABRG2GABRB3

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 5 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 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-1697332-A1 BENZO'1,4 ! DIAZEPIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE PDE2 INHIBITORS, PREPARATION AND THERAPEUTIC USE THEREOF NEURO3D (FR) 2006-09-06 EP disclosed
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 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 GABRA1 240/4885GABRA5 231/4885GABRA2 144/4885

“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.