SCHEMBL307686

SCHEMBL307686

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CCN4CCCC4)cc3)c2)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.69
CYP3A4 P08684 3/20 0.57
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
ABCB1 P08183 3/20 0.52
ABCG2 Q9UNQ0 3/20 0.52
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
CCR3 P51677 1/20 0.51
NAMPT P43490 1/20 0.51
PRKG1 Q13976 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL307079 0.90 ROCK2 (0.69) ROCK2CYP3A4CYP2C19LMNAABCB1
SCHEMBL307152 0.82 ROCK2 (1.00) ROCK2CYP3A4CYP2C19LMNARAB9A
SCHEMBL308003 0.80 ROCK2 (0.85) ROCK2CYP3A4PRKG1
SCHEMBL307259 0.78 ROCK2 (0.73) ROCK2CYP3A4CYP2C19RAB9AMAPT
Hydrochloric Acid SCHEMBL2907800 0.77 KDM4E (0.58) RAB9AMAPTNPC1KDM4EHTT
SCHEMBL10196239 0.76 ROCK2 (0.67) ROCK2CYP3A4ALDH1A1LMNASMN1; SMN2
Iodide SCHEMBL5165156 0.76 KDM4E (0.57) ALDH1A1LMNARAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL2907065 0.76 KDM4E (0.57) ALDH1A1LMNARAB9AMAPTNPC1
SCHEMBL307847 0.76 ROCK2 (0.84) ROCK2CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL308121 0.75 ROCK2 (0.82) ROCK2CYP3A4CYP2C19LMNARAB9A

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.