SCHEMBL5406967

SCHEMBL5406967

CCN1CCCC(Oc2ccc3[nH]ncc3c2)C1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.73
ROCK1 Q13464 10/20 0.73
CCR2 P41597 5/20 0.73
PARP1 P09874 1/20 0.49
CHRM4 P08173 1/20 0.46

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
SCHEMBL5418807 0.91 ROCK2 (0.70) ROCK2ROCK1CCR2PARP1CHRM4
SCHEMBL5410943 0.91 ROCK2 (0.65) ROCK2ROCK1CCR2CHRM4
SCHEMBL5413268 0.86 ROCK2 (0.70) ROCK2ROCK1CCR2
SCHEMBL5407087 0.85 ROCK2 (0.71) ROCK2ROCK1CCR2CHRM4
SCHEMBL5640737 0.84 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL5407375 0.84 ROCK2 (0.64) ROCK2ROCK1CCR2PARP1CHRM4
SCHEMBL5404287 0.84 ROCK2 (0.63) ROCK2ROCK1CCR2PARP1CHRM4
SCHEMBL5639525 0.84 ROCK2 (0.83) ROCK2ROCK1CCR2
SCHEMBL5642914 0.83 ROCK2 (0.81) ROCK2ROCK1CCR2
SCHEMBL5419426 0.82 ROCK2 (0.61) ROCK2ROCK1CCR2PARP1CHRM4

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.