SCHEMBL5044580

SCHEMBL5044580

COc1ccc(C2=NCC(=O)N(C)c3cc(OC)c(-c4cc(OC)ccc4OC)cc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 1.00
LMNA P02545 4/20 0.50
GAA P10253 1/20 0.50
TSPO P30536 1/20 0.50
GABRA1 P14867 6/20 0.46
GABRG2 P18507 6/20 0.46
GABRB3 P28472 6/20 0.46
GABRA5 P31644 6/20 0.46
GABRA3 P34903 6/20 0.46
GABRA2 P47869 6/20 0.46
GABRB2 P47870 4/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
CACNA1F O60840 1/20 0.46
ALB P02768 1/20 0.46
GABRB1 P18505 1/20 0.46
OPRK1 P41145 1/20 0.46
AKR1C3 P42330 1/20 0.46
GABRA4 P48169 1/20 0.46
AKR1C2 P52895 1/20 0.46

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
SCHEMBL5044374 0.91 PDE2A (0.84) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5486258 0.90 PDE2A (0.81) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5034759 0.87 PDE2A (0.77) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5042630 0.86 PDE2A (0.76) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5037406 0.85 PDE2A (0.73) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5486937 0.83 PDE2A (0.71) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5038183 0.83 PDE2A (0.70) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5488783 0.81 PDE2A (0.68) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5489045 0.80 GABRA1 (0.70) PDE2ALMNAGAATSPOGABRA1
SCHEMBL5037514 0.80 PDE2A (0.66) PDE2ALMNAGAATSPOGABRA1

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
US-11419874-B2 Treatment of tachycardia OSLO UNIVERSITY HOSPITAL HF (NO) 2022-08-23 US disclosed
US-20200345744-A1 TREATMENT OF TACHYCARDIA OSLO UNIVERSITY HOSPITAL HF (NO) 2020-11-05 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 2/4885LMNA 1921/4885GAA 187/4885
US-11419874-B2 Treatment of tachycardia PDE4B, PDE2A, PDE5A PDE2A 2/4885LMNA 2487/4885GAA 2130/4885
US-20200345744-A1 TREATMENT OF TACHYCARDIA PDE4B, PDE2A, PDE5A PDE2A 2/4885LMNA 2487/4885GAA 2130/4885

“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.