SCHEMBL987296

SCHEMBL987296

CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.59
ROCK1 Q13464 7/20 0.57
CCR2 P41597 2/20 0.57
PRKD3 O94806 2/20 0.57
PRKCG P05129 2/20 0.57
PRKCB P05771 2/20 0.57
CYP3A4 P08684 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
PRKCA P17252 2/20 0.57
PRKACA P17612 2/20 0.57
PRKACG P22612 2/20 0.57
PRKACB P22694 2/20 0.57
PRKCH P24723 2/20 0.57
PRKCI P41743 2/20 0.57
PRKCE Q02156 2/20 0.57
PRKCQ Q04759 2/20 0.57
PRKCZ Q05513 2/20 0.57
PRKCD Q05655 2/20 0.57
PRKD1 Q15139 2/20 0.57
MEN1 O00255 1/20 0.57

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
SCHEMBL567334 0.86 ROCK2 (0.47) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4187543 0.85 ROCK2 (0.53) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4183290 0.85 ROCK2 (0.53) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4194658 0.85 ROCK2 (0.59) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL567678 0.85 CKS1B (0.47) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL18428243 0.85 CHRM1 (0.55) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL17228271 0.85 CHRM1 (0.61) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL18428229 0.85 CHRM1 (0.61) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL22971612 0.84 ROCK2 (0.59) ROCK2ROCK1CCR2PRKD3PRKCG
SCHEMBL4183287 0.84 ROCK2 (0.62) ROCK2ROCK1CCR2PRKD3PRKCG

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
WO-2023199010-A1 TREATMENT OF MUSCLE FIBROSIS UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2023-10-19 WO disclosed
WO-2022262548-A1 PREPARATION METHOD FOR COMPOUND FASUDIL HYDROCHLORIDE 华东理工大学 2022-12-22 WO disclosed
US-7867999-B1 Hydroxyamino- and amino-substituted pyridine analogs for treating rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2011-01-11 US disclosed
US-20100048540-A1 Heterocyclic N-Oxides as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2010-02-25 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 (1 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-20100048540-A1 Heterocyclic N-Oxides as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, HYOU1 ROCK2 380/4885ROCK1 289/4885CCR2 4066/4885

“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.