SCHEMBL19902675

SCHEMBL19902675

CCC(=O)c1cnn2cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.47
PDE2A O00408 4/20 0.37
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL17454374 0.90 ROCK2 (0.49) ROCK2PDE2APDE3APDE10A
SCHEMBL17437875 0.87 ROCK2 (0.51) ROCK2PDE2APDE3APDE10A
SCHEMBL17452628 0.85 ROCK2 (0.48) ROCK2PDE2APDE3APDE10A
SCHEMBL20654123 0.83 ROCK2 (0.49) ROCK2PDE2APDE3APDE10A
SCHEMBL19902397 0.82 PDE2A (0.39) ROCK2PDE2APDE3APDE10A
SCHEMBL20646991 0.82 ROCK2 (0.45) ROCK2PDE2APDE3APDE10A
SCHEMBL20647024 0.82 ROCK2 (0.40) ROCK2PDE2APDE3APDE10A
SCHEMBL20646745 0.81 ROCK2 (0.40) ROCK2PDE2APDE3APDE10A
SCHEMBL24247778 0.80 ROCK2 (0.46) ROCK2PDE2APDE3APDE10A
SCHEMBL24247786 0.80 NR1I2 (0.39) ROCK2PDE2A

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
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 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
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 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.