SCHEMBL21946618

SCHEMBL21946618

CCC(=O)c1cnn2c(C3CC3)c(-c3cnn(C)c3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 1/20 0.39
▸ GRM2 Q14416 4/20 0.38
▸ CREBBP Q92793 4/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ USP30 Q70CQ3 3/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ DPP4 P27487 1/20 0.35

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
SCHEMBL21946619 0.88 BRD4 (0.42) GRM2CREBBPBRD4USP30IRAK4
SCHEMBL20647093 0.84 AAK1 (0.37) GRM2CREBBPBRD4AAK1USP30
SCHEMBL19128840 0.84 SPR (0.45) PLATCREBBPBRD4AAK1USP30
SCHEMBL20229595 0.80 PLAT (0.43) PLATDPP4
SCHEMBL21948590 0.76 ROCK2 (0.39) PLAT
SCHEMBL20229576 0.74 USP30 (0.52) BRD4USP30
SCHEMBL23889193 0.72 ROCK2 (0.38) PLAT
SCHEMBL19902682 0.72 ROCK2 (0.52) —
SCHEMBL21947307 0.70 ROCK2 (0.37) PLAT
SCHEMBL21948585 0.70 ROCK2 (0.39) PLAT

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 3 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
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 PLAT 1167/4885GRM2 3432/4885CREBBP 1439/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA PLAT 1167/4885GRM2 3432/4885CREBBP 1439/4885

“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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