SCHEMBL5409121

SCHEMBL5409121

CC(=O)N1CCCC(Oc2ccc3[nH]ncc3c2C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 4/20 0.51
CYP4F2 P78329 3/20 0.51
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
PDE4B Q07343 1/20 0.42
NAMPT P43490 1/20 0.41
PTPN11 Q06124 1/20 0.41
CHEK2 O96017 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP1A2 P05177 1/20 0.40
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
BTK Q06187 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL5402169 0.91 CYP4A11 (0.44) CYP4A11CYP4F2CYP11B2CYP11B1PDE4B
SCHEMBL5416839 0.87 PIK3CD (0.47) PDE4BCHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL5417439 0.86 CYP4F2 (0.47) CYP4A11CYP4F2PDE4BNAMPTPIK3CA
SCHEMBL5408010 0.83 AXL (0.40)
SCHEMBL5413261 0.80 KDM2B (0.39)
SCHEMBL5414975 0.80 KDM2B (0.39)
SCHEMBL5419614 0.80 AXL (0.37)
SCHEMBL5416983 0.80 ROCK2 (0.44) CYP1A2
SCHEMBL5423953 0.80 ROCK2 (0.42)
SCHEMBL5415149 0.78 ROCK2 (0.48)

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 3069/4885CYP11B2 964/4885

“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.