SCHEMBL20647178

SCHEMBL20647178

CC(C)C(=O)c1cnn2cc(OC3CCC3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ ACACB O00763 12/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ROCK2 O75116 2/20 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
SCHEMBL17452666 0.90 HRH3 (0.40) ACACBROCK2
SCHEMBL17452662 0.89 HRH3 (0.36) HIF1AACACBROCK2
SCHEMBL17452664 0.89 HRH3 (0.38) ROCK2
SCHEMBL17452669 0.86 ROCK2 (0.41) ROCK2
SCHEMBL17452641 0.85 ACACB (0.41) ACACB
SCHEMBL19127285 0.84 MGLL (0.39) PARP10ACACBMGLLROCK2
SCHEMBL23889073 0.83 PARP10 (0.38) PARP10MGLLROCK2
SCHEMBL17452667 0.83 ROCK2 (0.39) ACACBROCK2
SCHEMBL24247821 0.81 EGLN1 (0.36) PARP10MGLLROCK2
SCHEMBL17321419 0.81 EIF4A3 (0.41) MGLLROCK2

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 HIF1A 1993/4885PARP10 2009/4885ACACB 3360/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA HIF1A 2054/4885PARP10 2243/4885ACACB 3165/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA HIF1A 2054/4885PARP10 2243/4885ACACB 3165/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA HIF1A 1993/4885PARP10 2009/4885ACACB 3360/4885

“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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