SCHEMBL17228271

SCHEMBL17228271

CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)c3cccc4cnccc34)C[C@@H]2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.61
CYP3A4 P08684 2/20 0.55
PRKD3 O94806 2/20 0.55
PRKCG P05129 2/20 0.55
PRKCB P05771 2/20 0.55
PRKCA P17252 2/20 0.55
PRKCH P24723 2/20 0.55
PRKCI P41743 2/20 0.55
PRKCE Q02156 2/20 0.55
PRKCQ Q04759 2/20 0.55
PRKCZ Q05513 2/20 0.55
PRKCD Q05655 2/20 0.55
PRKD1 Q15139 2/20 0.55
CYP2D6 P10635 1/20 0.55
NFKB1 P19838 1/20 0.55
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
PRKACA P17612 1/20 0.53
PRKACG P22612 1/20 0.53

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
SCHEMBL18428229 1.00 CHRM1 (0.61) CHRM1CYP3A4PRKD3PRKCGPRKCB
SCHEMBL17228389 0.94 CYP3A4 (0.57) CHRM1CYP3A4PRKD3PRKCGPRKCB
SCHEMBL17228328 0.93 CHRM1 (0.57) CHRM1CYP3A4PRKD3PRKCGPRKCB
SCHEMBL18428243 0.91 CHRM1 (0.55) CHRM1CYP3A4PRKD3PRKCGPRKCB
SCHEMBL17228498 0.88 CHRM1 (0.55) CHRM1CYP3A4PRKD3PRKCGPRKCB
SCHEMBL18428307 0.88 CHRM1 (0.55) CHRM1CYP3A4PRKD3PRKCGPRKCB
SCHEMBL17228297 0.85 CHRM1 (0.53) CHRM1CYP3A4PRKD3PRKCGPRKCB
SCHEMBL987296 0.85 ROCK2 (0.59) CHRM1CYP3A4PRKD3PRKCGPRKCB
SCHEMBL17228320 0.84 CHRM1 (0.51) CHRM1CYP3A4PRKD3PRKCGPRKCB
SCHEMBL18428300 0.84 CHRM1 (0.51) CHRM1CYP3A4PRKD3PRKCGPRKCB

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
EP-3138843-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2017-03-08 EP disclosed
US-20170037050-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-02-09 US disclosed
US-20170037050-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-02-09 US disclosed
WO-2015165341-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR 南京明德新药研发股份有限公司 2015-11-05 WO 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-20170037050-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT CHRM1 3688/4885CYP3A4 2096/4885PRKD3 136/4885

“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.