SCHEMBL5407422

SCHEMBL5407422

O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
MAPK14 Q16539 1/20 0.50
CNR2 P34972 1/20 0.47
MAOB P27338 5/20 0.46
AKT1 P31749 1/20 0.46
CNR1 P21554 2/20 0.45
POLB P06746 1/20 0.45
CTNNB1 P35222 4/20 0.44
WNT3A P56704 4/20 0.44
CCR3 P51677 2/20 0.43

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
SCHEMBL5412833 1.00 ROCK2 (0.53) ROCK2ROCK1MAPK14CNR2MAOB
SCHEMBL5407417 1.00 ROCK2 (0.53) ROCK2ROCK1MAPK14CNR2MAOB
SCHEMBL5409687 0.85 TDO2 (0.57) ROCK2ROCK1MAPK14MAOBAKT1
SCHEMBL5405635 0.85 TDO2 (0.57) ROCK2ROCK1MAPK14MAOBAKT1
SCHEMBL5404931 0.84 ROCK2 (0.54) ROCK2ROCK1MAPK14MAOBAKT1
SCHEMBL5409227 0.84 ROCK2 (0.52) ROCK2ROCK1MAPK14MAOBAKT1
SCHEMBL5409232 0.84 ROCK2 (0.52) ROCK2ROCK1MAPK14MAOBAKT1
SCHEMBL5417028 0.84 ROCK2 (0.52) ROCK2ROCK1MAPK14MAOBAKT1
SCHEMBL5417444 0.84 TAS1R3 (0.57) ROCK2ROCK1MAPK14POLB
SCHEMBL5412477 0.82 MAPK14 (0.66) ROCK2ROCK1MAPK14MAOBAKT1

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 1/4885MAPK14 156/4885

“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.