SCHEMBL308066

SCHEMBL308066

COc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.57
ROCK1 Q13464 1/20 0.57
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
AURKB Q96GD4 2/20 0.55
SLC5A7 Q9GZV3 1/20 0.54
KDR P35968 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MCHR1 Q99705 1/20 0.53
KDM1A O60341 1/20 0.53
HDAC1 Q13547 1/20 0.53
AURKA O14965 1/20 0.52
FLT3 P36888 1/20 0.52
HTR2A P28223 1/20 0.52
KCNH2 Q12809 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
SCHEMBL306482 0.93 ROCK2 (0.62) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL306642 0.87 MCHR1 (0.57) AURKBKDRNPC1LMNATP53
SCHEMBL9815591 0.80 DRD3 (0.67) SLC5A7LMNASMN1; SMN2MCHR1KCNH2
SCHEMBL6486649 0.78 CYP2D6 (0.57) CYP2D6CYP2C9KDREPHX2ABL1
SCHEMBL307889 0.77 SCD (0.63) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL306811 0.76 ROCK2 (0.88) ROCK2ROCK1CYP3A4
SCHEMBL6926093 0.76 MCHR1 (0.78) ROCK2AURKBKDRLMNASMN1; SMN2
SCHEMBL23872966 0.76 CYP2C9 (0.68) CYP2D6CYP2C9SLC5A7LMNASMN1; SMN2
SCHEMBL306850 0.75 ROCK2 (0.84) ROCK2ROCK1CYP3A4
SCHEMBL308696 0.75 ALDH1A1 (0.61) ROCK2ROCK1CYP3A4CYP2D6CYP2C9

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 4/4885ROCK1 2/4885CYP3A4 2048/4885

“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.