SCHEMBL19902348

SCHEMBL19902348

CC(C)(O)COc1ccc2c(C(=O)NC3CCC(c4cn(C(C5CC5)C5CC5)c(=O)c5ccccc45)CC3)cnn2c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.47
ROCK1 Q13464 1/20 0.39

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL17438097 0.92 ROCK2 (0.54) ROCK2
SCHEMBL19902578 0.87 ROCK2 (0.46) ROCK2ROCK1
SCHEMBL19902347 0.85 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL17452775 0.81 ROCK2 (0.53) ROCK2
SCHEMBL17437827 0.76 ROCK2 (0.56) ROCK2
SCHEMBL19902443 0.76 ROCK2 (0.36) ROCK2
SCHEMBL19902475 0.74 ROCK2 (0.47) ROCK2ROCK1
SCHEMBL20646739 0.74 ROCK2 (0.58) ROCK2
SCHEMBL20646897 0.74 ROCK2 (0.58) ROCK2
SCHEMBL20646938 0.72 ROCK2 (0.57) ROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 ROCK2 3/4885ROCK1 1/4885

“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.