SCHEMBL20647093

SCHEMBL20647093

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.37
▸ CREBBP Q92793 5/20 0.36
▸ BRD4 O60885 4/20 0.36
▸ GRM2 Q14416 3/20 0.36
▸ USP30 Q70CQ3 2/20 0.35
▸ HAT1 O14929 4/20 0.35
▸ EP300 Q09472 4/20 0.35
▸ BTK Q06187 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34

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) CREBBPBRD4GRM2USP30BTK
SCHEMBL21946618 0.84 PLAT (0.39) AAK1CREBBPBRD4GRM2USP30
SCHEMBL19128840 0.84 SPR (0.45) AAK1CREBBPBRD4USP30
SCHEMBL17452657 0.80 KEAP1 (0.38) CREBBP
SCHEMBL20646831 0.75 ROCK2 (0.39) —
SCHEMBL17452701 0.74 HAT1 (0.54) BRD4USP30HAT1EP300
SCHEMBL20646785 0.72 ROCK2 (0.37) —
SCHEMBL20647176 0.72 ROCK2 (0.38) —
SCHEMBL17452627 0.71 ROCK2 (0.52) —
SCHEMBL20646931 0.70 ROCK2 (0.38) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA AAK1 775/4885CREBBP 1378/4885BRD4 2778/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA AAK1 775/4885CREBBP 1378/4885BRD4 2778/4885

“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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