SCHEMBL5409390

SCHEMBL5409390

CS(=O)(=O)N1CCC(CNc2ccc3[nH]ncc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.51
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
ROCK1 Q13464 2/20 0.44
CCR2 P41597 1/20 0.44
CYP3A4 P08684 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
SCHEMBL12628038 0.83 POLB (0.52) ROCK2ROCK1CCR2
SCHEMBL5401638 0.83 ROCK2 (0.63) ROCK2ROCK1CCR2CYP3A4
SCHEMBL3536081 0.80 POLB (0.52) ROCK2ROCK1CCR2
SCHEMBL5412621 0.79 POLB (0.69) ROCK2ROCK1CCR2
SCHEMBL5404817 0.78 POLB (0.48) ROCK2ROCK1CCR2
SCHEMBL13565805 0.78 ROCK2 (0.45) ROCK2ROCK1CYP3A4
SCHEMBL17090075 0.78 ROCK2 (0.44) ROCK2ROCK1
SCHEMBL13438658 0.77 ULK1 (0.49) ROCK2ROCK1CCR2
SCHEMBL11934772 0.77 ULK1 (0.49) ROCK2ROCK1CCR2
SCHEMBL5405984 0.77 ROCK2 (0.53) ROCK2ROCK1CCR2

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 2/4885CHRNB2 2766/4885CHRNB4 3227/4885

“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.