SCHEMBL20646801

SCHEMBL20646801

CC(C)C(=O)c1cnn2cc(OCC3(O)CCC3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 14/20 0.35
▸ PLA2G4A P47712 1/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HAT1 O14929 2/20 0.32
▸ EP300 Q09472 2/20 0.32

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 0.88 MCHR1 (0.37) ROCK2PLA2G4A
SCHEMBL20647180 0.79 HAT1 (0.38) ROCK2PLA2G4APDE2AHAT1EP300
SCHEMBL23889125 0.79 ROCK2 (0.36) ROCK2PLA2G4APDE2A
SCHEMBL20646896 0.79 HAT1 (0.38) ROCK2PLA2G4APDE2AHAT1EP300
SCHEMBL20646800 0.79 ROCK2 (0.33) ROCK2PDE2APDE10AHAT1EP300
SCHEMBL17452614 0.78 ROCK2 (0.46) ROCK2PLA2G4APDE2APDE10AHAT1
SCHEMBL17321452 0.78 PDE2A (0.39) ROCK2PDE2AHAT1EP300
SCHEMBL17452721 0.78 KDM4E (0.46) KDM4EALDH1A1
SCHEMBL17321453 0.78 KDM4E (0.48) KDM4EALDH1A1
SCHEMBL20647042 0.78 MCHR1 (0.39) ROCK2KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (4 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 5/4885PLA2G4A 1543/4885PDE2A 60/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ROCK2 5/4885PLA2G4A 1538/4885PDE2A 54/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA ROCK2 5/4885PLA2G4A 1538/4885PDE2A 54/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ROCK2 5/4885PLA2G4A 1543/4885PDE2A 60/4885

“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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