SCHEMBL307079

SCHEMBL307079

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CCN4CCCC4)cc3)c2)cc1C

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.69
CYP3A4 P08684 4/20 0.69
CYP2C19 P33261 1/20 0.69
ABCB1 P08183 5/20 0.53
ABCG2 Q9UNQ0 5/20 0.53
NAMPT P43490 1/20 0.51
PRKG1 Q13976 1/20 0.51
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.49
CYP2C9 P11712 1/20 0.49
ROCK1 Q13464 1/20 0.49
ACKR3 P25106 1/20 0.48

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
SCHEMBL307686 0.90 ROCK2 (0.69) ROCK2CYP3A4CYP2C19ABCB1ABCG2
SCHEMBL307149 0.82 ROCK2 (1.00) ROCK2CYP3A4CYP2C19NAMPTPRKG1
SCHEMBL307157 0.80 ROCK2 (0.87) ROCK2CYP3A4CYP2C19PRKG1ROCK1
SCHEMBL308168 0.78 ROCK2 (0.75) ROCK2CYP3A4CYP2C19NAMPTPRKG1
SCHEMBL17270179 0.77 ACKR3 (0.74) RAB9AKDM4ENPC1MAPTHTT
SCHEMBL307847 0.76 ROCK2 (0.84) ROCK2CYP3A4CYP2C19NAMPTPRKG1
SCHEMBL308121 0.76 ROCK2 (0.82) ROCK2CYP3A4CYP2C19NAMPTPRKG1
SCHEMBL306482 0.75 ROCK2 (0.62) ROCK2CYP3A4PRKG1MAPTCYP2C9
SCHEMBL2984102 0.74 RAB9A (0.58) ABCB1ABCG2RAB9AKDM4ENPC1
SCHEMBL306949 0.74 ROCK2 (1.00) ROCK2CYP3A4CYP2C19NAMPTPRKG1

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 2048/4885CYP2C19 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.