SCHEMBL306482

SCHEMBL306482

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(OCCN4CCOCC4)cc3)c2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.62
CYP3A4 P08684 2/20 0.60
KDR P35968 3/20 0.60
ROCK1 Q13464 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ABL1 P00519 1/20 0.55
BCR P11274 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
CFTR P13569 1/20 0.54
PRKG1 Q13976 1/20 0.54
SLC5A7 Q9GZV3 1/20 0.54
HTR2A P28223 1/20 0.54
KCNH2 Q12809 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
KDM1A O60341 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
SCHEMBL308066 0.93 ROCK2 (0.57) ROCK2CYP3A4KDRROCK1CYP2D6
SCHEMBL306642 0.82 MCHR1 (0.57) KDRABL1BCRMAPTCFTR
SCHEMBL307889 0.81 SCD (0.63) ROCK2CYP3A4ROCK1CYP2D6CYP2C9
SCHEMBL9815591 0.80 DRD3 (0.67) ALDH1A1SLC5A7KCNH2
SCHEMBL308696 0.78 ALDH1A1 (0.61) ROCK2CYP3A4ROCK1CYP2D6CYP2C9
SCHEMBL307781 0.78 ROCK2 (0.66) ROCK2CYP3A4ROCK1CYP2D6CYP2C9
SCHEMBL307001 0.78 SCD (0.60) ROCK2CYP3A4ROCK1CYP2D6CYP2C9
SCHEMBL307847 0.77 ROCK2 (0.84) ROCK2CYP3A4ROCK1CYP2C9KMT2A
SCHEMBL306958 0.77 ROCK2 (0.83) ROCK2CYP3A4ROCK1PRKG1
SCHEMBL6486649 0.77 CYP2D6 (0.57) KDRCYP2D6CYP2C9ABL1BCR

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-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
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 2048/4885KDR 1048/4885

“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.