SCHEMBL5044330

SCHEMBL5044330

CN1C(=O)CN=C(c2cccc([N+](=O)[O-])c2)c2cc(-c3ccccc3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.78
GABRA1 P14867 9/20 0.62
GABRG2 P18507 9/20 0.62
GABRB3 P28472 9/20 0.62
GABRA5 P31644 9/20 0.62
GABRA3 P34903 9/20 0.62
GABRA2 P47869 8/20 0.61
GABRB2 P47870 6/20 0.61
OPRK1 P41145 2/20 0.61
CCKBR P32239 2/20 0.61
MC3R P41968 1/20 0.61
GHSR Q92847 1/20 0.61
GABRP O00591 2/20 0.57
GABRD O14764 2/20 0.57
GABRB1 P18505 2/20 0.57
GABRA4 P48169 2/20 0.57
GABRE P78334 2/20 0.57
GABRA6 Q16445 2/20 0.57
GABRG1 Q8N1C3 2/20 0.57
GABRG3 Q99928 2/20 0.57

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
Nimetazepam SCHEMBL29374297 0.88 LMNA (1.00) LMNAGABRA1GABRG2GABRB3GABRA5
Nimetazepam SCHEMBL79886 0.88 LMNA (1.00) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL6455427 0.87 LMNA (0.59) LMNAGABRA1GABRG2GABRB3GABRA5
Nimetazepam SCHEMBL10689471 0.86 LMNA (0.95) LMNAGABRA1GABRG2GABRB3GABRA5
Nimetazepam SCHEMBL9542099 0.86 LMNA (0.95) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL5044301 0.85 LMNA (0.66) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL5038242 0.82 GABRA1 (0.62) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL5044305 0.82 GABRA1 (0.76) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL4708014 0.82 LMNA (0.64) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL5042437 0.81 GABRA1 (0.60) LMNAGABRA1GABRG2GABRB3GABRA5

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
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-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 LMNA 1921/4885GABRA1 240/4885GABRG2 273/4885

“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.