SCHEMBL307183

SCHEMBL307183

CCN(C(=O)c1cccc(CNC(=O)c2ccc(OC)c(OC)c2)c1)C1CCCNC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.68
PKN2 Q16513 1/20 0.68
PRKG1 Q13976 1/20 0.51
CYP3A4 P08684 3/20 0.50
ROCK1 Q13464 7/20 0.49
CYP2C9 P11712 1/20 0.49
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL306946 0.90 ROCK2 (0.68) ROCK2PKN2PRKG1CYP3A4ROCK1
SCHEMBL306733 0.85 ROCK2 (0.56) ROCK2PKN2CYP3A4ROCK1CYP2C9
SCHEMBL307182 0.81 ROCK2 (1.00) ROCK2PKN2PRKG1CYP3A4ROCK1
SCHEMBL4437493 0.81 ROCK2 (0.70) ROCK2PKN2PRKG1CYP3A4ROCK1
SCHEMBL13434571 0.80 REN (0.58) CYP3A4
SCHEMBL10160001 0.79 ROCK2 (0.69) ROCK2PKN2PRKG1CYP3A4
SCHEMBL307873 0.78 ROCK2 (0.69) ROCK2PKN2PRKG1CYP3A4ROCK1
SCHEMBL307799 0.76 ROCK2 (1.00) ROCK2PKN2PRKG1CYP3A4USP2
SCHEMBL308231 0.76 ROCK2 (0.82) ROCK2PKN2PRKG1CYP3A4ROCK1
SCHEMBL306945 0.75 ROCK2 (1.00) ROCK2PKN2PRKG1CYP3A4ROCK1

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 10 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 claimed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US claimed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US claimed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP claimed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO claimed
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-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP 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 4/4885PKN2 332/4885PRKG1 9/4885

“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.