SCHEMBL19128592

SCHEMBL19128592

O=C(O)c1cnn2c(C3CC3)c(OCCC(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ PLAT P00750 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23889037 0.90 ROCK2 (0.41) ROCK2PLAT
SCHEMBL21947213 0.88 PLAT (0.39) ROCK2PLAT
SCHEMBL19127952 0.88 SPR (0.43) ROCK2PLAT
SCHEMBL20646828 0.87 ROCK2 (0.40) ROCK2PLAT
SCHEMBL24247767 0.85 PLAT (0.41) ROCK2PLAT
SCHEMBL19150308 0.82 ROCK2 (0.33) ROCK2PLAT
SCHEMBL17437880 0.81 ROCK2 (0.54) ROCK2
SCHEMBL19128038 0.81 EPHX2 (0.35) ROCK2PLATMAPTSMN1; SMN2
SCHEMBL23888949 0.80 ROCK2 (0.41) ROCK2KEAP1NFE2L2ALDH1A1MAPT
SCHEMBL21947357 0.79 ROCK2 (0.41) 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 16 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
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
CN-108699038-B Spirocyclic heptane salicylamides and related compounds as Rock inhibitors 百时美施贵宝公司 2021-04-16 — — CN disclosed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 — — US 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-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-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
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 — — US disclosed
EP-3402790-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2018-11-21 — — EP disclosed
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 — — WO disclosed
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 — — WO 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 5/4885KEAP1 357/4885NFE2L2 1799/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ROCK2 5/4885KEAP1 365/4885NFE2L2 1755/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA ROCK2 5/4885KEAP1 365/4885NFE2L2 1755/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ROCK2 5/4885KEAP1 357/4885NFE2L2 1799/4885

“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.

Send feedback