SCHEMBL5419449

SCHEMBL5419449

OCCN1CCC(Oc2ccc3[nH]ncc3c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.68
CCR2 P41597 2/20 0.68
ROCK1 Q13464 2/20 0.68
CHRM4 P08173 2/20 0.50
PARP1 P09874 1/20 0.48
GRIN2B Q13224 8/20 0.45
DRD4 P21917 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
JAK2 O60674 1/20 0.44
SYK P43405 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
SCHEMBL5425140 0.95 ROCK2 (0.63) ROCK2CCR2ROCK1CHRM4PARP1
SCHEMBL5413268 0.86 ROCK2 (0.70) ROCK2CCR2ROCK1
SCHEMBL5408985 0.86 ROCK2 (0.65) ROCK2CCR2ROCK1CHRM4PARP1
SCHEMBL5407087 0.85 ROCK2 (0.71) ROCK2CCR2ROCK1CHRM4GRIN2B
SCHEMBL5404287 0.84 ROCK2 (0.63) ROCK2CCR2ROCK1CHRM4PARP1
SCHEMBL5409543 0.83 ROCK2 (0.65) ROCK2CCR2ROCK1CHRM4PARP1
SCHEMBL5415837 0.82 ROCK2 (0.67) ROCK2CCR2ROCK1CHRM4GRIN2B
SCHEMBL26132172 0.81 ROCK2 (0.64) ROCK2CCR2ROCK1CHRM4JAK2
SCHEMBL5410943 0.81 ROCK2 (0.65) ROCK2CCR2ROCK1CHRM4DRD4
SCHEMBL5639760 0.81 ROCK2 (1.00) ROCK2CCR2ROCK1GRIN2BDRD4

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 2/4885CCR2 2824/4885ROCK1 1/4885

“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.