SCHEMBL5407903

SCHEMBL5407903

CC(C)(C)OC(=O)N1CCCC(Oc2ccc3[nH]ncc3c2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.56
CHEK2 O96017 1/20 0.55
ROCK2 O75116 4/20 0.54
CCR2 P41597 2/20 0.54
ROCK1 Q13464 2/20 0.54
CYP4A11 Q02928 2/20 0.46
CYP4F2 P78329 1/20 0.46
PRMT5 O14744 1/20 0.45
CYP2C9 P11712 1/20 0.45
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
CHRM4 P08173 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
PDE4B Q07343 1/20 0.43
USP30 Q70CQ3 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
SCHEMBL5401649 0.88 PIK3CD (0.55) PIK3CDCHEK2ROCK2CCR2ROCK1
SCHEMBL5407821 0.86 CYP4A11 (0.59) PIK3CDCHEK2ROCK2CCR2ROCK1
SCHEMBL5412560 0.85 ROCK2 (0.62) PIK3CDCHEK2ROCK2CCR2ROCK1
SCHEMBL24093960 0.85 CHEK2 (0.57) PIK3CDCHEK2ROCK2CYP4A11CYP4F2
SCHEMBL5817971 0.80 ROCK2 (0.64) ROCK2CCR2ROCK1
SCHEMBL5404376 0.80 ROCK2 (0.54) CHEK2ROCK2CCR2ROCK1CYP4A11
SCHEMBL5416839 0.79 PIK3CD (0.47) PIK3CDCHEK2PRMT5IDO1TDO2
SCHEMBL21604523 0.79 CHEK2 (0.55) PIK3CDCHEK2GPR119PDE4BUSP30
SCHEMBL20281619 0.79 CHEK2 (0.55) PIK3CDCHEK2GPR119PDE4BUSP30
SCHEMBL20281604 0.79 CHEK2 (0.55) PIK3CDCHEK2GPR119PDE4BUSP30

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 PIK3CD 439/4885CHEK2 2372/4885ROCK2 2/4885

“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.