SCHEMBL5413293

SCHEMBL5413293

COc1c(OC2CCCCNC2)ccc2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.42
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
BRD4 O60885 1/20 0.38
ROCK1 Q13464 4/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
SGK1 O00141 1/20 0.36
CHEK1 O14757 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
ROCK2 O75116 2/20 0.35
CDC42BPB Q9Y5S2 2/20 0.35
CDC42BPA Q5VT25 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
CYP3A4 P08684 2/20 0.34
VEGFA P15692 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
Hydrochloric Acid SCHEMBL5404537 0.95 CHRNB2 (0.41) PDE4BCHRNB2CHRNA4BRD4ROCK1
SCHEMBL5407419 0.87 PDE4B (0.40) PDE4BBRD4ROCK1IKBKBCHUK
SCHEMBL5414955 0.85 ROCK1 (0.41) PDE4BCHRNB2CHRNA4ROCK1IKBKB
Hydrochloric Acid SCHEMBL5404592 0.83 ACVR1B (0.41) PDE4BBRD4IKBKBCHUKHTR1A
SCHEMBL5412282 0.81 CHRNB2 (0.44) CHRNB2CHRNA4ROCK1IKBKBCHUK
SCHEMBL5408146 0.79 CHRNB2 (0.47) CHRNB2CHRNA4ROCK1IKBKBCHUK
SCHEMBL5415577 0.79 BRD4 (0.38) PDE4BBRD4ROCK1CHEK1ROCK2
SCHEMBL5404655 0.79 BRD4 (0.38) PDE4BBRD4ROCK1CHEK1ROCK2
SCHEMBL5404658 0.79 BRD4 (0.38) PDE4BBRD4ROCK1CHEK1ROCK2
SCHEMBL5404650 0.79 BRD4 (0.38) PDE4BBRD4ROCK1CHEK1ROCK2

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 PDE4B 836/4885CHRNB2 2766/4885CHRNA4 3462/4885

“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.