Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPR | P35270 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25578509 | 0.84 | ENPP2 (0.43) | SPRCYP1A2CYP3A4PKMALOX15 | |
| SCHEMBL2896017 | 0.82 | GRM2 (0.45) | CYP1A2CYP3A4PKMALOX15NFKB1 | |
| SCHEMBL11095506 | 0.82 | BLM (0.49) | KMT2AKDM4EBLMPTPRB | |
| Hydrochloric Acid SCHEMBL12614913 | 0.80 | BLM (0.45) | SPRCYP1A2CYP3A4PKMALOX15 | |
| Hydrochloric Acid SCHEMBL1811408 | 0.79 | BLM (0.44) | SPRCYP1A2CYP3A4PKMALOX15 | |
| SCHEMBL12496022 | 0.79 | OPRD1 (0.43) | SPR | |
| SCHEMBL2747599 | 0.78 | SPR (0.48) | SPRCYP1A2CYP3A4PKMALOX15 | |
| SCHEMBL27747362 | 0.76 | SPR (0.41) | SPRCYP1A2CYP3A4PKMALOX15 | |
| SCHEMBL7514054 | 0.74 | SMN1; SMN2 (0.53) | CYP1A2CYP3A4MAPK1KMT2ATAAR1 | |
| SCHEMBL2896129 | 0.74 | NQO2 (0.38) | SPREGFRKMT2AGABRA1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1814537-B1 | MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2014-11-12 | — | — | EP | disclosed |
| US-7678783-B2 | Macrocyclic tertiary amine beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK SHARP & DOHME CORP. (US) | 2010-03-16 | — | — | US | disclosed |
| US-20080269302-A1 | Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | MERCK & CO., INC. (US) | 2008-10-30 | — | — | US | disclosed |
| EP-1814537-A2 | MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006055434-A2 | MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2006-05-26 | — | — | 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 (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-20080269302-A1 | Macrocyclic Tertiary Amine Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease | BACE1, BACE2, PSEN1 | SPR 813/4885CYP1A2 912/4885CYP3A4 1672/4885 |
“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.