SCHEMBL308121

SCHEMBL308121

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CCN(C)C)cc3)c2)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.82
CYP3A4 P08684 4/20 0.82
CYP2C19 P33261 1/20 0.70
CYP2C9 P11712 1/20 0.61
ROCK1 Q13464 1/20 0.61
PRKG1 Q13976 1/20 0.60
DRD2 P14416 1/20 0.58
DRD3 P35462 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
NAMPT P43490 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
LMNA P02545 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 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
SCHEMBL306949 0.90 ROCK2 (1.00) ROCK2CYP3A4CYP2C19CYP2C9ROCK1
SCHEMBL307847 0.87 ROCK2 (0.84) ROCK2CYP3A4CYP2C19CYP2C9ROCK1
SCHEMBL307267 0.84 ROCK2 (0.85) ROCK2CYP3A4CYP2C19CYP2C9ROCK1
SCHEMBL306761 0.83 ROCK2 (0.74) ROCK2CYP3A4CYP2C19CYP2C9ROCK1
SCHEMBL307149 0.82 ROCK2 (1.00) ROCK2CYP3A4CYP2C19CYP2C9ROCK1
SCHEMBL10160167 0.82 ROCK2 (0.81) ROCK2CYP3A4CYP2C19PRKG1HRH3
SCHEMBL306976 0.82 ROCK2 (0.72) ROCK2CYP3A4CYP2C19CYP2C9ROCK1
SCHEMBL307627 0.82 ROCK2 (0.86) ROCK2CYP3A4CYP2C19ROCK1PRKG1
SCHEMBL306951 0.82 ROCK2 (0.84) ROCK2CYP3A4CYP2C19ROCK1PRKG1
SCHEMBL25718966 0.82 ROCK2 (0.68) ROCK2CYP3A4CYP2C19CYP2C9ROCK1

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 14 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-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
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
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
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 2048/4885CYP2C19 1265/4885

“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.