SCHEMBL5417439

SCHEMBL5417439

CC(=O)N1CCC(Oc2ccc3[nH]ncc3c2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
IKBKB O14920 3/20 0.46
CHUK O15111 1/20 0.43
TLR7 Q9NYK1 1/20 0.41
TIPARP Q7Z3E1 1/20 0.41
PDE4B Q07343 1/20 0.40
AXL P30530 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
PIK3CA P42336 1/20 0.39
NAMPT P43490 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL5402169 0.96 CYP4A11 (0.44) CYP4F2CYP4A11IKBKBCHUKTLR7
SCHEMBL5409121 0.86 CYP4A11 (0.51) CYP4F2CYP4A11PDE4BPIK3CANAMPT
SCHEMBL17739093 0.84 CYP4F2 (0.48) CYP4F2CYP4A11IKBKBCHUKTIPARP
SCHEMBL5408718 0.84 AXL (0.44) TIPARPAXLTYRO3MERTKPIK3CA
SCHEMBL5414878 0.81 AXL (0.45) TLR7AXLTYRO3MERTKJAK1
SCHEMBL5405638 0.81 HRH3 (0.42) TLR7AXLTYRO3MERTK
SCHEMBL5401813 0.80 AXL (0.43) TLR7AXLTYRO3MERTKJAK2
SCHEMBL5419469 0.80 AXL (0.41) CYP4F2CYP4A11AXLTYRO3MERTK
SCHEMBL5419632 0.80 AXL (0.41) CYP4F2CYP4A11AXLTYRO3MERTK
SCHEMBL5419472 0.80 AXL (0.41) CYP4F2CYP4A11AXLTYRO3MERTK

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 CYP4F2 3069/4885CYP4A11 1289/4885IKBKB 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.