SCHEMBL5404817

SCHEMBL5404817

c1cc2[nH]ncc2cc1NCC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ROCK2 O75116 13/20 0.46
ROCK1 Q13464 12/20 0.46
ERN1 O75460 1/20 0.46
CCR2 P41597 4/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TRPM5 Q9NZQ8 1/20 0.45
TDO2 P48775 1/20 0.44
P2RX7 Q99572 1/20 0.44
HTR6 P50406 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
SCHEMBL12628038 0.92 POLB (0.52) POLBROCK2ROCK1ERN1CCR2
SCHEMBL3536081 0.88 POLB (0.52) POLBROCK2ROCK1CCR2SLC6A2
SCHEMBL5409001 0.87 ROCK2 (0.47) POLBROCK2ROCK1CCR2SLC6A2
SCHEMBL13438658 0.85 ULK1 (0.49) POLBROCK2ROCK1ERN1CCR2
SCHEMBL5405984 0.85 ROCK2 (0.53) POLBROCK2ROCK1CCR2SLC6A2
SCHEMBL11934772 0.85 ULK1 (0.49) POLBROCK2ROCK1ERN1CCR2
SCHEMBL5418817 0.82 ROCK2 (0.48) POLBROCK2ROCK1CCR2TRPM5
SCHEMBL4165570 0.79 ERN1 (0.42) ROCK2ROCK1ERN1
SCHEMBL3532732 0.79 IDO1 (0.54) POLBROCK2ROCK1CCR2TDO2
SCHEMBL1716563 0.79 ROCK2 (0.62) ROCK2ROCK1CCR2

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 POLB 3765/4885ROCK2 2/4885ROCK1 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.