SCHEMBL10159655

SCHEMBL10159655

COc1ccc(C(=O)NCc2cccc(C(=O)NC[C@H]3CC[C@H](N)CC3)c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.67
ROCK1 Q13464 4/20 0.65
PKN2 Q16513 1/20 0.60
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 1/20 0.57
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
LMNA P02545 1/20 0.53
PRKG1 Q13976 1/20 0.52

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
SCHEMBL306729 1.00 ROCK2 (0.67) ROCK2ROCK1PKN2CYP3A4CYP2C9
SCHEMBL308231 0.88 ROCK2 (0.82) ROCK2ROCK1PKN2CYP3A4CYP2C9
SCHEMBL3609921 0.82 ROCK2 (0.78) ROCK2ROCK1PKN2CYP3A4CYP2C9
SCHEMBL10159902 0.82 ROCK2 (0.65) ROCK2ROCK1PKN2CYP3A4CYP2C9
SCHEMBL306730 0.82 ROCK2 (0.65) ROCK2ROCK1PKN2CYP3A4CYP2C9
SCHEMBL305141 0.80 ROCK2 (0.78) ROCK2ROCK1PKN2CYP3A4CYP2C9
SCHEMBL305398 0.80 ROCK2 (0.78) ROCK2ROCK1CYP3A4CYP2C9USP2
SCHEMBL17439743 0.79 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL306945 0.78 ROCK2 (1.00) ROCK2ROCK1PKN2CYP3A4CYP2C9
SCHEMBL306304 0.78 ROCK2 (0.70) ROCK2ROCK1CYP3A4CYP2C9USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 ROCK2 4/4885ROCK1 2/4885PKN2 332/4885

“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.