SCHEMBL5409001

SCHEMBL5409001

c1cc2[nH]ncc2cc1NCCC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.47
ROCK1 Q13464 12/20 0.47
POLB P06746 1/20 0.46
CCR2 P41597 5/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TRPM5 Q9NZQ8 1/20 0.44
ULK1 O75385 1/20 0.43
KHK P50053 1/20 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
SCHEMBL5404817 0.87 POLB (0.48) ROCK2ROCK1POLBCCR2SLC6A2
SCHEMBL5425443 0.79 ROCK2 (0.70) ROCK2ROCK1CCR2
SCHEMBL12628038 0.78 POLB (0.52) ROCK2ROCK1POLBCCR2TRPM5
SCHEMBL5419738 0.77 ITGB3 (0.56) ROCK2ROCK1SLC6A2SLC6A4SLC6A3
SCHEMBL1716563 0.77 ROCK2 (0.62) ROCK2ROCK1CCR2
SCHEMBL5424091 0.77 P2RX7 (0.58) ROCK2ROCK1POLBULK1
SCHEMBL7572076 0.75 ROCK2 (0.55) ROCK2ROCK1TRPM5
Hydrochloric Acid SCHEMBL5419088 0.75 ROCK2 (0.59) ROCK2ROCK1CCR2
SCHEMBL3536081 0.75 POLB (0.52) ROCK2ROCK1POLBCCR2SLC6A2
SCHEMBL5414994 0.73 POLB (0.83) ROCK2ROCK1POLBCCR2ULK1

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 1/4885POLB 3765/4885

“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.