SCHEMBL12379859

SCHEMBL12379859

CC(C)c1ccc(C2(C#N)CCC(=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
OPRM1 P35372 5/20 0.42
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 2/20 0.38

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
SCHEMBL14441137 0.86 OPRM1 (0.49) OPRM1POLBCYP3A4CYP2D6NPSR1
SCHEMBL11073259 0.81 OPRM1 (0.57) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL11093941 0.81 OPRM1 (0.58) PDE4APDE4BPDE4CPDE4DOPRM1
Ethylene SCHEMBL11073847 0.79 OPRM1 (0.54) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL1559063 0.78 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL2288499 0.78 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL735798 0.78 MEN1 (0.57) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL11706527 0.77 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DOPRM1
SCHEMBL1557899 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DOPRM1
Ethylene SCHEMBL11828563 0.75 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DOPRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US 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-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS ROCK1, MYLK, ROCK2 PDE4A 346/4885PDE4B 489/4885PDE4C 363/4885

“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.