SCHEMBL2339617

SCHEMBL2339617

COc1ccc(Cn2ccc3cc(OC4CCC(NC(C)=O)CC4)c(SCc4ccccc4)cc3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB2 P49721 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL2341932 1.00 BRD4 (0.40) BRD4SIGMAR1MAPTLMNATP53
SCHEMBL2334333 0.88 MAPT (0.40) MAPTLMNATP53POLB
SCHEMBL2334338 0.88 MAPT (0.40) MAPTLMNATP53POLB
SCHEMBL2337149 0.76 TP53 (0.47) MAPTLMNATP53POLB
SCHEMBL1572125 0.72 MAPT (0.47) BRD4MAPTLMNATP53POLB
SCHEMBL1572126 0.72 MAPT (0.47) BRD4MAPTLMNATP53POLB
SCHEMBL3223826 0.71 LMNA (0.40) MAPTLMNATP53POLBPSMB2
SCHEMBL2335574 0.71 MAPT (0.42) MAPTLMNATP53POLB
SCHEMBL3222625 0.71 MAPT (0.42) MAPTLMNATP53POLB
SCHEMBL2335578 0.71 MAPT (0.42) MAPTLMNATP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796458-B2 Cyclohexylamine isoquinolone derivatives SANOFI (FR) 2014-08-05 US disclosed
US-8609691-B2 Cyclohexylamin isoquinolone derivatives SANOFI (FR) 2013-12-17 US disclosed
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
EP-1912949-B1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI SA (FR) 2011-08-24 EP disclosed
US-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one SANOFI-AVENTIS (FR) 2008-10-02 US disclosed
EP-1912949-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS Sanofi-Aventis (FR) 2008-04-23 EP disclosed
WO-2007012422-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 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 (2 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-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one MYLK, MYLK2, ROCK1 BRD4 1636/4885SIGMAR1 3258/4885MAPT 760/4885
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES MYLK2, MYLK, MYLK3 BRD4 1749/4885SIGMAR1 3895/4885MAPT 1393/4885

“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.