SCHEMBL5408985

SCHEMBL5408985

COCCN1CCC(Oc2ccc3[nH]ncc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.65
CCR2 P41597 3/20 0.65
ROCK1 Q13464 3/20 0.65
CHRM4 P08173 1/20 0.51
PARP1 P09874 1/20 0.49
CYP2D6 P10635 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
SOS1 Q07889 1/20 0.44
GRIN2B Q13224 5/20 0.43
GSK3B P49841 1/20 0.43
DRD4 P21917 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
AXL P30530 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42

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
SCHEMBL5419449 0.86 ROCK2 (0.68) ROCK2CCR2ROCK1CHRM4PARP1
SCHEMBL5407087 0.85 ROCK2 (0.71) ROCK2CCR2ROCK1CHRM4GRIN2B
SCHEMBL5404287 0.84 ROCK2 (0.63) ROCK2CCR2ROCK1CHRM4PARP1
SCHEMBL5409543 0.84 ROCK2 (0.65) ROCK2CCR2ROCK1CHRM4PARP1
SCHEMBL5425140 0.82 ROCK2 (0.63) ROCK2CCR2ROCK1CHRM4PARP1
SCHEMBL5410943 0.81 ROCK2 (0.65) ROCK2CCR2ROCK1CHRM4DRD4
SCHEMBL5415837 0.80 ROCK2 (0.67) ROCK2CCR2ROCK1CHRM4CYP2D6
SCHEMBL5419426 0.80 ROCK2 (0.61) ROCK2CCR2ROCK1CHRM4PARP1
SCHEMBL26132172 0.79 ROCK2 (0.64) ROCK2CCR2ROCK1CHRM4GSK3B
SCHEMBL5639760 0.79 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.