SCHEMBL5402169

SCHEMBL5402169

CC(=O)N1CCCC(Oc2ccc3[nH]ncc3c2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.44
CYP4F2 P78329 2/20 0.44
IKBKB O14920 3/20 0.43
PDE4B Q07343 1/20 0.42
CHUK O15111 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
TIPARP Q7Z3E1 1/20 0.39
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL5417439 0.96 CYP4F2 (0.47) CYP4A11CYP4F2IKBKBPDE4BCHUK
SCHEMBL5409121 0.91 CYP4A11 (0.51) CYP4A11CYP4F2PDE4BCYP11B1CYP11B2
SCHEMBL17739093 0.81 CYP4F2 (0.48) CYP4A11CYP4F2IKBKBCHUKCYP11B1
SCHEMBL5416839 0.81 PIK3CD (0.47) PDE4BJAK2JAK1
SCHEMBL5413038 0.80 HRH3 (0.40) TLR7AXLTYRO3MERTK
SCHEMBL5422019 0.80 HRH3 (0.45) AXLTYRO3MERTK
SCHEMBL5413363 0.80 AXL (0.42) AXLTYRO3MERTK
SCHEMBL5408718 0.80 AXL (0.44) TIPARPAXLTYRO3MERTK
SCHEMBL5404079 0.80 AXL (0.41) TLR7AXLTYRO3MERTKJAK2
SCHEMBL5412679 0.78 HRH3 (0.47) AXLTYRO3MERTK

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 CYP4A11 1289/4885CYP4F2 3069/4885IKBKB 633/4885

“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.