SCHEMBL21947337

SCHEMBL21947337

CC(C)C(=O)c1cnn2cc(OCCOC(F)(F)F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.39
PDE2A O00408 5/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HAT1 O14929 3/20 0.34
EP300 Q09472 3/20 0.34
RET P07949 1/20 0.34
PLA2G4A P47712 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
SCHEMBL23889076 0.89 ROCK2 (0.41) ROCK2PDE2APDE3APDE10ARET
SCHEMBL17452665 0.88 ROCK2 (0.49) ROCK2PDE2APDE3APDE10APLA2G4A
SCHEMBL17452670 0.87 ROCK2 (0.40) ROCK2PDE2APDE3APDE10A
SCHEMBL21947339 0.87 ROCK2 (0.44) ROCK2PDE2APDE3APDE10A
SCHEMBL17321452 0.86 PDE2A (0.39) ROCK2PDE2AHAT1EP300RET
SCHEMBL19128286 0.86 ROCK2 (0.39) ROCK2PDE2APDE3APDE10ARET
SCHEMBL20647024 0.85 ROCK2 (0.40) ROCK2PDE2APDE3APDE10ARET
SCHEMBL23889125 0.85 ROCK2 (0.36) ROCK2PDE2ARETPLA2G4A
SCHEMBL21946575 0.83 PDE2A (0.37) ROCK2PDE2ARET
SCHEMBL21948591 0.83 ROCK2 (0.40) ROCK2PDE2APDE3APDE10APLA2G4A

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-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 5/4885PDE2A 60/4885PDE3A 22/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ROCK2 5/4885PDE2A 60/4885PDE3A 22/4885

“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.