SCHEMBL17452667

SCHEMBL17452667

COC(=O)N1CC(Oc2ccc3c(C(=O)C(C)C)cnn3c2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 9/20 0.39
▸ EIF4A3 P38919 1/20 0.37
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ ACACB O00763 4/20 0.35
▸ LCK P06239 1/20 0.33
▸ CSK P41240 1/20 0.33
▸ EPHB3 P54753 1/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ PDE2A O00408 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
SCHEMBL20647179 0.90 NAMPT (0.40) ROCK2EIF4A3JAK1JAK3ACACB
SCHEMBL17454359 0.89 ROCK2 (0.40) ROCK2EIF4A3JAK1JAK3ACACB
SCHEMBL17437914 0.88 ROCK2 (0.39) ROCK2EIF4A3JAK1JAK3LCK
SCHEMBL21947211 0.88 ROCK2 (0.39) ROCK2EIF4A3JAK1JAK3ACACB
SCHEMBL20647178 0.83 HIF1A (0.38) ROCK2ACACB
SCHEMBL17452669 0.81 ROCK2 (0.41) ROCK2
SCHEMBL17452666 0.81 HRH3 (0.40) ROCK2JAK1JAK3ACACB
SCHEMBL17452662 0.80 HRH3 (0.36) ROCK2EIF4A3ACACB
SCHEMBL17452664 0.80 HRH3 (0.38) ROCK2
SCHEMBL17321419 0.79 EIF4A3 (0.41) ROCK2EIF4A3JAK1JAK3LCK

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 9 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-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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 — — US disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 — — US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — 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 5/4885EIF4A3 4527/4885JAK1 488/4885
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 ROCK2 3/4885EIF4A3 4386/4885JAK1 461/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 ROCK2 3/4885EIF4A3 4386/4885JAK1 461/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ROCK2 5/4885EIF4A3 4527/4885JAK1 488/4885

“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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