SCHEMBL5752813

SCHEMBL5752813

CCOC(=O)C(Cc1ccc(OC(C)(C)C)cc1)C(=O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
OPRK1 P41145 2/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
ITGA5 P08648 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
SLC6A4 P31645 1/20 0.42
CHRNA3 P32297 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH1 P35367 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRND Q07001 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP2B6 P20813 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL5748618 0.87 SLC6A2 (0.43) SLC6A2OPRK1CHRNA1CHRNGITGA5
SCHEMBL5752567 0.87 SLC6A2 (0.43) SLC6A2OPRK1CHRNA1CHRNGITGA5
SCHEMBL5751669 0.85 SLC6A2 (0.42) SLC6A2OPRK1CHRNA1CHRNGITGA5
SCHEMBL5753455 0.83 L3MBTL1 (0.41) SLC6A2OPRK1CHRNA1CHRNGITGA5
SCHEMBL5752560 0.82 L3MBTL1 (0.44) SLC6A2OPRK1CHRNA1CHRNGITGA5
SCHEMBL5751964 0.81 ACHE (0.43) SLC6A2OPRK1CHRNA1CHRNGITGA5
SCHEMBL5751245 0.81 L3MBTL1 (0.41) SLC6A2OPRK1CHRNA1CHRNGITGA5
SCHEMBL9493601 0.81 MMP8 (0.49) OPRK1ALDH1A1ABCB11CYP1A2CYP3A4
SCHEMBL5752766 0.80 MAPK1 (0.47) SLC6A2OPRK1CHRNA1CHRNGITGA5
SCHEMBL5755387 0.79 MDM2 (0.42) ALDH1A1SMN1; SMN2TSHRPPARACNR1

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP SLC6A2 576/4885OPRK1 2041/4885CHRNA1 1669/4885

“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.