SCHEMBL5404376

SCHEMBL5404376

CC(=O)N1CCCC(Oc2ccc3[nH]ncc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.54
ROCK1 Q13464 3/20 0.54
CCR2 P41597 2/20 0.54
CYP4A11 Q02928 3/20 0.53
CYP4F2 P78329 2/20 0.53
CHRM4 P08173 1/20 0.52
IKBKB O14920 2/20 0.46
CHEK2 O96017 1/20 0.46
HRH3 Q9Y5N1 4/20 0.45
TIPARP Q7Z3E1 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
DYRK3 O43781 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.43
STK17A Q9UEE5 1/20 0.43

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
SCHEMBL5418828 0.95 ROCK2 (0.58) ROCK2ROCK1CCR2CYP4A11CYP4F2
SCHEMBL5407821 0.91 CYP4A11 (0.59) ROCK2ROCK1CCR2CYP4A11CYP4F2
SCHEMBL5412560 0.83 ROCK2 (0.62) ROCK2ROCK1CCR2CYP4A11CYP4F2
SCHEMBL5419426 0.82 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4HRH3
SCHEMBL5401649 0.81 PIK3CD (0.55) ROCK2ROCK1CCR2CHRM4CHEK2
SCHEMBL5419161 0.80 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4IKBKB
SCHEMBL5416024 0.80 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4IKBKB
SCHEMBL5407903 0.80 PIK3CD (0.56) ROCK2ROCK1CCR2CYP4A11CYP4F2
SCHEMBL5410231 0.80 ROCK2 (0.56) ROCK2ROCK1CCR2CHRM4HRH3
SCHEMBL5410943 0.80 ROCK2 (0.65) ROCK2ROCK1CCR2CHRM4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885CCR2 2824/4885

“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.