SCHEMBL21974201

SCHEMBL21974201

COC(=O)C(C)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.38
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CA14 Q9ULX7 4/20 0.36
CA12 O43570 3/20 0.36
GPR88 Q9GZN0 1/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 2/20 0.32
DGAT1 O75907 1/20 0.32
PDK2 Q15119 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL21918067 0.86 CHRNB2 (0.36) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16517603 0.84 CTSK (0.38) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17898136 0.83 CA14 (0.37) CTSKCA14CA12CA1CA2
SCHEMBL19902206 0.83 GABRR1 (0.38) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13163799 0.81 CA14 (0.38) CTSKCA14CA12CA1CA2
SCHEMBL26272251 0.81 CTSK (0.34) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16941095 0.81 CTSK (0.39) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3711368 0.80 CTSK (0.38) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24752001 0.79 CTSK (0.39) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12287124 0.78 CA14 (0.40) CTSKCHRNB2CHRNA4CHRNB4CHRNA3

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-10745381-B2 Substituted isoquinolines and phthalazines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2020-08-18 US disclosed
US-20200140412-A1 ROCK KINASE INHIBITORS CERVELLO THERAPEUTICS, LLC. 2020-05-07 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-10745381-B2 Substituted isoquinolines and phthalazines as rock kinase inhibitors ROCK1, ROCK2, CIT CTSK 2819/4885CHRNB2 2011/4885CHRNA4 2506/4885
US-20200140412-A1 ROCK KINASE INHIBITORS ROCK1, ROCK2, RHOA CTSK 1438/4885CHRNB2 1635/4885CHRNA4 2449/4885

“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.