Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | PPIA | P62937 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12117513 | 0.83 | HSD17B10 (0.58) | CES2CES1ALDH1A1HSD17B10TSHR | |
| SCHEMBL5216747 | 0.78 | TSHR (0.55) | CES2CES1ALDH1A1HSD17B10TSHR | |
| SCHEMBL29957061 | 0.77 | HTR7 (0.47) | CES2CES1MAPTKMT2AMEN1 | |
| SCHEMBL17157028 | 0.77 | ALDH1A1 (0.52) | CES2CES1ALDH1A1HSD17B10TSHR | |
| SCHEMBL7190826 | 0.77 | TSHR (0.64) | CES2CES1ALDH1A1HSD17B10TSHR | |
| SCHEMBL21839417 | 0.76 | HTR7 (0.49) | CES2CES1ALDH1A1HSD17B10TSHR | |
| SCHEMBL15203036 | 0.76 | CRHBP (0.58) | CES2CES1ALDH1A1HSD17B10TSHR | |
| SCHEMBL29623123 | 0.76 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP3A4MAPTKMT2A | |
| SCHEMBL20187601 | 0.76 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP3A4MAPTKMT2A | |
| SCHEMBL1514401 | 0.76 | CRHBP (0.58) | CES2CES1ALDH1A1HSD17B10TSHR |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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.
| Patent | Title | Text reads most about | Predicted 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 | CES2 61/4885CES1 118/4885ALDH1A1 493/4885 |
“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.