SCHEMBL2335574

SCHEMBL2335574

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
LMNA P02545 4/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 1/20 0.40
P2RX7 Q99572 1/20 0.39
TNF P01375 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 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
SCHEMBL3222625 1.00 MAPT (0.42) MAPTLMNATP53POLBP2RX7
SCHEMBL2335578 1.00 MAPT (0.42) MAPTLMNATP53POLBP2RX7
SCHEMBL3219270 0.96 MAPT (0.39) MAPTLMNATP53POLBP2RX7
SCHEMBL3219253 0.96 MAPT (0.39) MAPTLMNATP53POLBP2RX7
SCHEMBL3219258 0.96 MAPT (0.39) MAPTLMNATP53POLBP2RX7
SCHEMBL2335472 0.90 MAPT (0.40) MAPTLMNATP53POLB
SCHEMBL2334925 0.90 MAPT (0.40) MAPTLMNATP53POLB
SCHEMBL2334929 0.90 MAPT (0.40) MAPTLMNATP53POLB
SCHEMBL12211790 0.88 MAPT (0.39) MAPTLMNATP53POLBPDE1A
SCHEMBL3217557 0.88 HRH3 (0.41) MAPTLMNATP53PDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
US-8796458-B2 Cyclohexylamine isoquinolone derivatives SANOFI (FR) 2014-08-05 US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 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-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
EP-2125745-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 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
WO-2008077551-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO 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 (3 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 MAPT 760/4885LMNA 1218/4885TP53 4043/4885
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES MYLK2, MYLK, MYLK3 MAPT 1393/4885LMNA 497/4885TP53 2994/4885
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES MYLK, MYLK2, MYLK3 MAPT 1596/4885LMNA 1716/4885TP53 2765/4885

“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.