Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | MAT2A | P31153 | 1/20 | 0.34 |
| ▸ | MAT1A | Q00266 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 2/20 | 0.33 |
| ▸ | WDR5 | P61964 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17437836 | 1.00 | KEAP1 (0.39) | KEAP1NFE2L2NOTUMMAPTSMN1; SMN2 | |
| SCHEMBL17437907 | 1.00 | KEAP1 (0.39) | KEAP1NFE2L2NOTUMMAPTSMN1; SMN2 | |
| SCHEMBL17437916 | 0.91 | KEAP1 (0.35) | KEAP1NFE2L2MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL17454484 | 0.90 | USP30 (0.37) | NOTUMMAPTSMN1; SMN2ALDH1A1USP30 | |
| SCHEMBL17454366 | 0.90 | USP30 (0.37) | NOTUMMAPTSMN1; SMN2ALDH1A1USP30 | |
| SCHEMBL19902552 | 0.86 | ROCK2 (0.36) | NOTUMSMN1; SMN2ALDH1A1USP30ROCK2 | |
| SCHEMBL17452620 | 0.86 | ACACB (0.36) | NOTUMALDH1A1USP30ROCK2DRD4 | |
| SCHEMBL19902684 | 0.86 | ROCK2 (0.36) | NOTUMSMN1; SMN2ALDH1A1USP30ROCK2 | |
| SCHEMBL17452622 | 0.86 | ACACB (0.36) | NOTUMALDH1A1USP30ROCK2DRD4 | |
| SCHEMBL17437897 | 0.81 | IP6K1 (0.47) | MAPTSMN1; SMN2ALDH1A1ROCK2DRD4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3169682-B1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2018-12-26 | — | — | EP | disclosed |
| US-20180155296-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2018-06-07 | — | — | US | disclosed |
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |
| EP-3169682-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2017-05-24 | — | — | EP | disclosed |
| US-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY | 2016-01-21 | — | — | US | disclosed |
| WO-2016010950-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-01-21 | — | — | 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-20180155296-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | ROCK1, MYLK, ROCK2 | KEAP1 247/4885NFE2L2 1220/4885NOTUM 2786/4885 |
| US-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | ROCK1, MYLK, ROCK2 | KEAP1 247/4885NFE2L2 1220/4885NOTUM 2786/4885 |
“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.