SCHEMBL5407772

SCHEMBL5407772

CC(C)N1C2CCC1CC(Nc1ccc3[nH]ncc3c1)C2

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.64
ROCK1 Q13464 12/20 0.64
ARHGDIA P52565 4/20 0.64
CYP3A4 P08684 2/20 0.57
CCR2 P41597 4/20 0.51

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
SCHEMBL5413381 0.89 ROCK2 (0.67) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5423856 0.86 ROCK2 (0.70) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL910665 0.84 ROCK2 (0.62) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5423833 0.84 ROCK2 (0.68) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5412656 0.83 ROCK2 (0.73) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5413349 0.83 ROCK2 (0.69) ROCK2ROCK1CYP3A4CCR2
SCHEMBL5418009 0.82 ROCK2 (0.64) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5407741 0.82 ROCK2 (0.64) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5404336 0.81 ROCK2 (0.70) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL747065 0.81 ROCK2 (0.58) ROCK2ROCK1ARHGDIACYP3A4CCR2

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 1/4885ARHGDIA 3/4885

“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.