SCHEMBL5407372

SCHEMBL5407372

c1cc2[nH]ncc2cc1OC1CCCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.54
ROCK1 Q13464 13/20 0.54
ROCK2 O75116 7/20 0.54
CCR2 P41597 2/20 0.54
CHRM4 P08173 1/20 0.48
PRKCZ Q05513 2/20 0.47
PRKCD Q05655 2/20 0.46
PRKACA P17612 1/20 0.46
PRKG1 Q13976 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46
Q6ZSR9 Q6ZSR9 1/20 0.46
BMP2K Q9NSY1 1/20 0.46
CDC42BPB Q9Y5S2 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 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
SCHEMBL5412921 0.94 IKBKB (0.59) IKBKBROCK1ROCK2CCR2CHRM4
SCHEMBL5418070 0.89 ROCK1 (0.64) IKBKBROCK1ROCK2CCR2CHRM4
SCHEMBL5419161 0.89 ROCK2 (0.61) IKBKBROCK1ROCK2CCR2CHRM4
SCHEMBL5416024 0.89 ROCK2 (0.61) IKBKBROCK1ROCK2CCR2CHRM4
SCHEMBL5410417 0.87 ROCK2 (0.60) IKBKBROCK1ROCK2CCR2CHRM4
SCHEMBL5409613 0.87 ROCK2 (0.60) IKBKBROCK1ROCK2CCR2CHRM4
SCHEMBL5423957 0.86 PRKCZ (0.63) IKBKBROCK1ROCK2CCR2PRKCZ
SCHEMBL26132172 0.85 ROCK2 (0.64) IKBKBROCK1ROCK2CCR2CHRM4
SCHEMBL20321367 0.83 IKBKB (0.59) IKBKBROCK1ROCK2CCR2PRKCZ
SCHEMBL29595853 0.83 IKBKB (0.59) IKBKBROCK1ROCK2CCR2PRKCZ

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 IKBKB 633/4885ROCK1 1/4885ROCK2 2/4885

“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.