SCHEMBL21948611

SCHEMBL21948611

CC(=O)c1cnn2c(C3CC3)c(OC(CF)CF)ccc12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 0.38
▸ SPR P35270 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL19128597 0.89 SPR (0.45) ROCK2SPRKDM4EHSD17B10
SCHEMBL20646785 0.89 ROCK2 (0.37) ROCK2SPRKDM4EHSD17B10
SCHEMBL23889037 0.78 ROCK2 (0.41) ROCK2
SCHEMBL17454370 0.77 ROCK2 (0.55) ROCK2
SCHEMBL17454424 0.76 MAPT (0.46) ROCK2
SCHEMBL21947204 0.76 ROCK2 (0.39) ROCK2
SCHEMBL21947306 0.76 ROCK2 (0.39) ROCK2
SCHEMBL21947357 0.75 ROCK2 (0.41) ROCK2
SCHEMBL20647157 0.75 ROCK2 (0.40) ROCK2
SCHEMBL17454490 0.75 KEAP1 (0.40) ROCK2SPRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 — — US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 — — 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA ROCK2 5/4885SPR 125/4885KDM4E 2121/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ROCK2 5/4885SPR 125/4885KDM4E 2121/4885

“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.

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