SCHEMBL306530

SCHEMBL306530

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(Cc3ccccc3C(F)(F)F)CC4)c2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.70
CYP3A4 P08684 2/20 0.70
PRKG1 Q13976 1/20 0.59
DRD2 P14416 6/20 0.52
DRD3 P35462 6/20 0.52
DRD4 P21917 4/20 0.52
DRD1 P21728 3/20 0.52
DRD5 P21918 2/20 0.52
ROCK1 Q13464 1/20 0.51
TMEM97 Q5BJF2 3/20 0.50
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL307835 0.91 ROCK2 (0.73) ROCK2CYP3A4PRKG1DRD2DRD3
SCHEMBL14135092 0.90 ROCK2 (0.74) ROCK2CYP3A4PRKG1DRD2DRD3
SCHEMBL307304 0.89 ROCK2 (0.80) ROCK2CYP3A4PRKG1ROCK1ABCB1
SCHEMBL306148 0.88 ROCK2 (0.72) ROCK2CYP3A4PRKG1DRD2DRD3
SCHEMBL307548 0.87 ROCK2 (0.78) ROCK2CYP3A4PRKG1ROCK1ABCB1
SCHEMBL14135111 0.87 ROCK2 (0.70) ROCK2CYP3A4PRKG1DRD2DRD3
SCHEMBL308053 0.87 ROCK2 (0.73) ROCK2CYP3A4PRKG1DRD2DRD3
SCHEMBL307445 0.86 ROCK2 (0.69) ROCK2CYP3A4PRKG1DRD2DRD3
SCHEMBL306999 0.86 ROCK2 (0.71) ROCK2CYP3A4PRKG1DRD2DRD3
SCHEMBL307753 0.86 ROCK2 (0.75) ROCK2CYP3A4PRKG1DRD2DRD3

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 13 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-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
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 4/4885CYP3A4 2048/4885PRKG1 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.