Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17454378 | 0.88 | MAPT (0.46) | MEN1KMT2AMCHR1EGFRTDP1 | |
| SCHEMBL17437971 | 0.86 | MEN1 (0.40) | MEN1KMT2AMCHR1EGFRTDP1 | |
| SCHEMBL17452655 | 0.84 | TDP1 (0.43) | TDP1MAPTCYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL17452658 | 0.80 | XDH (0.41) | TDP1MAPTCYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL17452672 | 0.80 | GRM2 (0.41) | TDP1MAPTCYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL17452656 | 0.79 | ROCK2 (0.40) | MEN1KMT2ATDP1KDM4EALDH1A1 | |
| SCHEMBL17437885 | 0.76 | NOTUM (0.43) | TDP1MAPTCYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL17452634 | 0.73 | ALKBH1 (0.43) | L3MBTL1ALKBH1 | |
| SCHEMBL17452646 | 0.72 | ROCK2 (0.37) | — | |
| SCHEMBL17454421 | 0.71 | TDP1 (0.54) | TDP1MAPTCYP2C9CYP2C19SMN1; SMN2 |
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-20180155296-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2018-06-07 | — | — | US | 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 |
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |
| US-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY | 2016-01-21 | — | — | US | 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 | MEN1 363/4885KMT2A 2302/4885MCHR1 2455/4885 |
| US-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | ROCK1, MYLK, ROCK2 | MEN1 363/4885KMT2A 2302/4885MCHR1 2455/4885 |
“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.