SCHEMBL2335575

SCHEMBL2335575

CCc1c[nH]c(=O)c2cc(F)c(OC3CCC(N)CC3)cc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.35
MTNR1B P49286 1/20 0.35
ROCK1 Q13464 1/20 0.34
FEN1 P39748 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2B P41595 2/20 0.31
TRPA1 O75762 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
CCR3 P51677 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
IRAK1 P51617 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL2337718 1.00 MTNR1A (0.35) MTNR1AMTNR1BROCK1FEN1HTR1A
SCHEMBL8938587 0.88 EPHX2 (0.37) MTNR1AMTNR1BROCK1HTR1AHTR2B
SCHEMBL8934460 0.87 ROCK1 (0.39) MTNR1AMTNR1BROCK1HTR1AHTR2B
SCHEMBL8937273 0.84 HRH1 (0.38) MTNR1AMTNR1BHRH1CCR3
SCHEMBL8937316 0.82 DRD2 (0.40) MTNR1AMTNR1BHTR1AHTR2AHRH1
SCHEMBL8937451 0.82 HRH3 (0.43) HRH1CCR3
SCHEMBL8937447 0.81 HRH1 (0.37) MTNR1AMTNR1BHRH1CCR3
SCHEMBL8937388 0.81 HRH1 (0.41) HRH1CCR3
SCHEMBL8937579 0.81 HRH3 (0.42) HRH1CCR3ALDH1A1HTT
SCHEMBL8937313 0.81 MAOA (0.42) HRH1CCR3ALDH1A1

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 MTNR1A 738/4885MTNR1B 580/4885ROCK1 3/4885
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES MYLK2, MYLK, MYLK3 MTNR1A 1951/4885MTNR1B 1453/4885ROCK1 7/4885

“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.