SCHEMBL19902731

SCHEMBL19902731

CC(C)(Oc1ccc2c(C(=O)N[C@H]3CC[C@H](c4n[nH]c(=O)c5ccccc54)CC3)cnn2c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.47
ROCK1 Q13464 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.36
SPR P35270 1/20 0.36
KLK7 P49862 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL17453000 0.90 ROCK2 (0.60) ROCK2
SCHEMBL19902613 0.85 ROCK2 (0.48) ROCK2ROCK1KDM4EALDH1A1HSD17B10
SCHEMBL19902324 0.84 ROCK1 (0.49) ROCK2ROCK1KDM4EALDH1A1HSD17B10
SCHEMBL19902327 0.84 ROCK2 (0.44) ROCK2ROCK1KDM4EALDH1A1HSD17B10
SCHEMBL19902603 0.83 ROCK2 (0.49) ROCK2ROCK1KDM4EALDH1A1HSD17B10
SCHEMBL19902439 0.83 ROCK2 (0.41) ROCK2ROCK1
SCHEMBL19902352 0.82 ROCK2 (0.42) ROCK2ROCK1KDM4EALDH1A1HSD17B10
SCHEMBL19902419 0.81 ROCK2 (0.45) ROCK2ROCK1KDM4EALDH1A1HSD17B10
SCHEMBL19902418 0.81 ROCK2 (0.45) ROCK2ROCK1KDM4EALDH1A1HSD17B10
SCHEMBL19902569 0.81 ROCK2 (0.47) ROCK2ROCK1KDM4EALDH1A1HSD17B10

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 1/4885KDM4E 1546/4885

“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.