Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6892858 | 1.00 | CYP1A2 (0.53) | CYP1A2CYP2D6BCHEALDH1A1NPSR1 | |
| SCHEMBL4042114 | 0.87 | ANPEP (0.46) | SMN1; SMN2 | |
| SCHEMBL3348009 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL6887793 | 0.86 | BCHE (0.53) | BCHEALDH1A1LMNACYP3A4GAA | |
| SCHEMBL3382581 | 0.86 | BCHE (0.53) | BCHEALDH1A1LMNACYP3A4GAA | |
| SCHEMBL496172 | 0.85 | BCHE (0.61) | CYP1A2CYP2D6BCHEALDH1A1LMNA | |
| SCHEMBL7951036 | 0.85 | BCHE (0.61) | CYP1A2CYP2D6BCHEALDH1A1LMNA | |
| SCHEMBL3353939 | 0.85 | BCHE (0.61) | CYP1A2CYP2D6BCHEALDH1A1LMNA | |
| SCHEMBL2605624 | 0.85 | BCHE (0.61) | CYP1A2CYP2D6BCHEALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL5225060 | 0.84 | BCHE (0.60) | CYP1A2CYP2D6BCHEALDH1A1LMNA |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020128255-A1 | Compounds to treat alzheimer's disease | PHARMACIA & UPJOHN COMPANY | 2002-09-12 | — | — | US | claimed |
| US-7727997-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-7612054-B2 | Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof | NOVARTIS AG (CH) | 2009-11-03 | — | — | US | disclosed |
| EP-1651592-B1 | NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2009-04-29 | — | — | EP | disclosed |
| US-7498436-B2 | Substituted hydroxyethylamines | PHARMACIA & UPJOHN COMPANY LLC (US) | 2009-03-03 | — | — | US | disclosed |
| EP-1692143-B1 | TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LTD (GB) | 2008-11-12 | — | — | EP | disclosed |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | ELAN PHARMACEUTICALS, INC. | 2007-09-13 | — | — | US | disclosed |
| US-20070213407-A1 | Compounds to treat Alzheimer's disease | ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC | 2007-09-13 | — | — | US | disclosed |
| US-20070111991-A1 | Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof | NOVARTIS AG (CH) | 2007-05-17 | — | — | US | disclosed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-20060229302-A1 | Tricyclic indole derivatives and their use in the treatment of alzheimer's disease | GLAXO GROUP LIMITED (GB) | 2006-10-12 | — | — | US | disclosed |
| US-20060106256-A1 | Substituted hydroxyethylamines | PHARMACIA & UPJOHN COMPANY | 2006-05-18 | — | — | US | disclosed |
| EP-1651592-A2 | NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF | Novartis AG (CH) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005014517-A2 | NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2005-02-17 | — | — | 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 (6 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-20060229302-A1 | Tricyclic indole derivatives and their use in the treatment of alzheimer's disease | BACE2, BACE1, PSEN2 | CYP1A2 792/4885CYP2D6 3061/4885BCHE 24/4885 |
| US-20020128255-A1 | Compounds to treat alzheimer's disease | PSEN2, PSEN1, APP | CYP1A2 226/4885CYP2D6 1201/4885BCHE 12/4885 |
| US-20070213407-A1 | Compounds to treat Alzheimer's disease | PSEN2, PSEN1, CHAT | CYP1A2 823/4885CYP2D6 1759/4885BCHE 8/4885 |
| US-20070111991-A1 | Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof | APP, BACE1, BCHE | CYP1A2 555/4885CYP2D6 613/4885BCHE 3/4885 |
| US-20060106256-A1 | Substituted hydroxyethylamines | HNMT, PNMT, BCHE | CYP1A2 230/4885CYP2D6 308/4885BCHE 3/4885 |
| US-20070213316-A1 | Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease | BACE1, BACE2, APP | CYP1A2 3371/4885CYP2D6 4009/4885BCHE 17/4885 |
“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.