SCHEMBL20647042

SCHEMBL20647042

CC(=O)c1cnn2cc(OCC3(O)CC(F)(F)C3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.39
▸ ROCK2 O75116 15/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20647035 0.90 MCHR1 (0.37) MCHR1ROCK2
SCHEMBL24247859 0.89 CACNA1H (0.42) ROCK2KDM4EALDH1A1HSD17B10
SCHEMBL20646801 0.78 ROCK2 (0.35) ROCK2KDM4EALDH1A1HSD17B10
SCHEMBL17454506 0.76 ROCK2 (0.48) ROCK2ALDH1A1
SCHEMBL20647157 0.75 ROCK2 (0.40) MCHR1ROCK2
SCHEMBL17453654 0.75 HRH3 (0.42) ROCK2KDM4EALDH1A1
SCHEMBL17454418 0.75 ROCK2 (0.41) ROCK2
SCHEMBL17324758 0.74 ROCK2 (0.40) ROCK2KDM4EALDH1A1
SCHEMBL17454381 0.74 ROCK2 (0.51) ROCK2ALDH1A1
SCHEMBL17454461 0.74 HRH3 (0.39) 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 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-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 MCHR1 3337/4885ROCK2 5/4885KDM4E 2298/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA MCHR1 3337/4885ROCK2 5/4885KDM4E 2298/4885

“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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