Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
| ▸ | VHL | P40337 | 1/20 | 0.38 |
| ▸ | ELOC | Q15369 | 1/20 | 0.38 |
| ▸ | ELOB | Q15370 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12069040 | 0.73 | KDM4E (0.38) | KDM4ECA2CA12CA1CA9 | |
| SCHEMBL12983650 | 0.69 | CYP2C19 (0.58) | KDM4EHTTCYP2C19S100A4ALDH1A1 | |
| SCHEMBL31067757 | 0.69 | CYP2C19 (0.58) | KDM4EHTTCYP2C19S100A4ALDH1A1 | |
| SCHEMBL566902 | 0.69 | TDP2 (0.39) | KDM4EHTTS100A4VHLELOC | |
| SCHEMBL3894956 | 0.67 | CYP2C19 (0.54) | KDM4EHTTCYP2C19S100A4ALDH1A1 | |
| SCHEMBL19153919 | 0.67 | CCR1 (0.32) | KDM4ECA2CA12CA1CA9 | |
| SCHEMBL2775772 | 0.66 | KDM4E (0.63) | KDM4EHTTVHLELOCELOB | |
| SCHEMBL4241202 | 0.64 | MEN1 (0.41) | KDM4EHTTCYP2C19S100A4ALDH1A1 | |
| SCHEMBL16710701 | 0.63 | CYP2C19 (0.39) | KDM4EHTTCYP2C19S100A4RECQL | |
| SCHEMBL68053 | 0.62 | KDM4E (0.58) | KDM4EHTTVHLELOCELOB |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9505739-B2 | Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK SHARP & DOHME CORP. (US) | 2016-11-29 | — | — | US | disclosed |
| US-9505739-B2 | Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease | MERCK SHARP & DOHME CORP. (US) | 2016-11-29 | — | — | US | disclosed |
| US-20150038490-A1 | SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | US | disclosed |
| US-20150038490-A1 | SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | US | disclosed |
| US-8865701-B2 | Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer'S disease | MERCK SHARP & DOHME CORP. (US) | 2014-10-21 | — | — | US | disclosed |
| US-8865701-B2 | Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer'S disease | MERCK SHARP & DOHME CORP. (US) | 2014-10-21 | — | — | US | disclosed |
| EP-2398789-B1 | SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2014-03-19 | — | — | EP | disclosed |
| US-20110306595-A1 | SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| US-20110306595-A1 | SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| WO-2010094242-A1 | SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME CORP. (US) | 2010-08-26 | — | — | 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 (2 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-20150038490-A1 | SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | BACE1, BACE2, APP | KDM4E 3235/4885HTT 629/4885CYP2C19 1110/4885 |
| US-20110306595-A1 | SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | BACE1, BACE2, APP | KDM4E 3235/4885HTT 629/4885CYP2C19 1110/4885 |
“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.