SCHEMBL5409543

SCHEMBL5409543

CN1CCC(Oc2ccc3[nH]ncc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.65
ROCK1 Q13464 3/20 0.65
CCR2 P41597 2/20 0.65
CHRM4 P08173 2/20 0.57
HRH3 Q9Y5N1 2/20 0.47
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
DYRK1A Q13627 1/20 0.45
ERN1 O75460 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
BRD4 O60885 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5419426 0.95 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4HRH3
SCHEMBL5407375 0.87 ROCK2 (0.64) ROCK2ROCK1CCR2CHRM4SLC6A2
SCHEMBL26132172 0.87 ROCK2 (0.64) ROCK2ROCK1CCR2CHRM4HRH3
SCHEMBL5409201 0.85 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4HRH3
SCHEMBL5407087 0.85 ROCK2 (0.71) ROCK2ROCK1CCR2CHRM4HRH3
SCHEMBL5408985 0.84 ROCK2 (0.65) ROCK2ROCK1CCR2CHRM4HRH3
SCHEMBL5416024 0.84 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4HRH3
SCHEMBL5419161 0.84 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4HRH3
SCHEMBL5419449 0.83 ROCK2 (0.68) ROCK2ROCK1CCR2CHRM4PARP1
SCHEMBL5418828 0.83 ROCK2 (0.58) 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.