SCHEMBL20647162

SCHEMBL20647162

CC(C)C(=O)c1cnn2c(C3CC3)c(OCC3CCO3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 16/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ CNR2 P34972 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL20647139 0.95 IRAK4 (0.42) IRAK4CNR2
SCHEMBL21947306 0.89 ROCK2 (0.39) ROCK2IRAK4
SCHEMBL21947307 0.87 ROCK2 (0.37) ROCK2
SCHEMBL19128735 0.87 SPR (0.41) ROCK2
SCHEMBL20647140 0.84 TSHR (0.43) IRAK4CNR2
SCHEMBL20646831 0.83 ROCK2 (0.39) ROCK2
SCHEMBL23889170 0.83 ROCK2 (0.34) ROCK2
SCHEMBL19128205 0.82 SCN9A (0.43) IRAK4CNR2
SCHEMBL17452627 0.81 ROCK2 (0.52) ROCK2
SCHEMBL17452656 0.80 ROCK2 (0.40) 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-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 — — US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 — — 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-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ROCK2 5/4885IRAK4 861/4885CNR2 1825/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA ROCK2 5/4885IRAK4 861/4885CNR2 1825/4885

“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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