SCHEMBL5419628

SCHEMBL5419628

c1cc2[nH]ncc2cc1OC1CCCN(C2CCC2)C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.62
ROCK1 Q13464 8/20 0.62
CCR2 P41597 4/20 0.62
HRH3 Q9Y5N1 4/20 0.49
KCNH2 Q12809 1/20 0.49
CHRM4 P08173 2/20 0.45
KDM2B Q8NHM5 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL5415139 0.98 ROCK2 (0.62) ROCK2ROCK1CCR2HRH3KCNH2
SCHEMBL5413233 0.88 HRH3 (0.57) ROCK2ROCK1CCR2HRH3KCNH2
SCHEMBL5416024 0.83 ROCK2 (0.61) ROCK2ROCK1CCR2HRH3KCNH2
SCHEMBL5407375 0.83 ROCK2 (0.64) ROCK2ROCK1CCR2CHRM4
SCHEMBL5419426 0.81 ROCK2 (0.61) ROCK2ROCK1CCR2HRH3KCNH2
SCHEMBL5419161 0.80 ROCK2 (0.61) ROCK2ROCK1CCR2HRH3KCNH2
SCHEMBL5406967 0.80 ROCK2 (0.73) ROCK2ROCK1CCR2CHRM4
SCHEMBL5410223 0.80 ROCK2 (0.61) ROCK2ROCK1CCR2HRH3CHRM4
SCHEMBL5410417 0.79 ROCK2 (0.60) ROCK2ROCK1CCR2HRH3KCNH2
SCHEMBL5409613 0.79 ROCK2 (0.60) ROCK2ROCK1CCR2HRH3KCNH2

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 1/4885CCR2 2824/4885

“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.