SCHEMBL2337307

SCHEMBL2337307

N[C@H]1CC[C@H](Oc2cc3ccnc(O)c3cc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 8/20 0.41
MAP2K1 Q02750 1/20 0.37
IRAK4 Q9NWZ3 3/20 0.35
ROCK1 Q13464 2/20 0.35
RORC P51449 1/20 0.34
CSNK2A1 P68400 2/20 0.34
FEN1 P39748 1/20 0.34
SCD O00767 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32

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
SCHEMBL2337304 1.00 KMO (0.41) KMOMAP2K1IRAK4ROCK1RORC
Hydrochloric Acid SCHEMBL2338809 0.99 KMO (0.41) KMOMAP2K1IRAK4ROCK1RORC
Hydrochloric Acid SCHEMBL2338812 0.99 KMO (0.41) KMOMAP2K1IRAK4ROCK1RORC
SCHEMBL4608506 0.86 KMO (0.41) KMOMAP2K1IRAK4ROCK1RORC
SCHEMBL4961096 0.86 KMO (0.41) KMOMAP2K1IRAK4ROCK1RORC
SCHEMBL4608510 0.86 KMO (0.41) KMOMAP2K1IRAK4ROCK1RORC
SCHEMBL4961099 0.86 KMO (0.41) KMOMAP2K1IRAK4ROCK1RORC
SCHEMBL8934704 0.85 MAP2K1 (0.50) KMOMAP2K1ROCK1
SCHEMBL8934714 0.80 HRH3 (0.39)
SCHEMBL8939229 0.78 IGF1R (0.39) ROCK1SCD

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 5 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

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 KMO 2877/4885MAP2K1 460/4885IRAK4 2641/4885
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES MYLK2, MYLK, MYLK3 KMO 2758/4885MAP2K1 1417/4885IRAK4 2996/4885

“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.