SCHEMBL20646868

SCHEMBL20646868

CC(C)C(=O)c1cnn2c(CCC(F)(F)F)c(OCCC(F)(F)F)ccc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 1/20 0.34
▸ ACACB O00763 6/20 0.33
▸ EPHX2 P34913 4/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ SCN5A Q14524 3/20 0.32
▸ SCN9A Q15858 3/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ PLAT P00750 1/20 0.31

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
SCHEMBL23889021 0.89 CNR2 (0.33) ROCK2
SCHEMBL20646956 0.89 LMNA (0.36) —
SCHEMBL20646833 0.89 CNR2 (0.37) ROCK2
SCHEMBL23889040 0.88 SLC6A9 (0.35) SLC6A9ACACBEPHX2ROCK2PLAT
SCHEMBL19128038 0.86 EPHX2 (0.35) SLC6A9EPHX2ROCK2PLAT
SCHEMBL20646828 0.82 ROCK2 (0.40) ROCK2PLAT
SCHEMBL19150259 0.79 ALDH1A1 (0.36) —
SCHEMBL19150600 0.77 MAPT (0.33) SLC6A9ROCK2
SCHEMBL20647111 0.76 CNR2 (0.39) ROCK2
SCHEMBL19128573 0.76 CNR2 (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 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 SLC6A9 699/4885ACACB 3360/4885EPHX2 3104/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA SLC6A9 651/4885ACACB 3165/4885EPHX2 3002/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA SLC6A9 651/4885ACACB 3165/4885EPHX2 3002/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA SLC6A9 699/4885ACACB 3360/4885EPHX2 3104/4885

“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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