SCHEMBL5751669

SCHEMBL5751669

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 4/20 0.42
CHRNA1 P02708 2/20 0.42
CHRNG P07510 2/20 0.42
CHRNB1 P11230 2/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
SLC6A4 P31645 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRND Q07001 2/20 0.42
ITGA5 P08648 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH1 P35367 1/20 0.42
CHRNA7 P36544 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 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 0.91 SLC6A2 (0.43) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL5753455 0.87 L3MBTL1 (0.41) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL5752567 0.87 SLC6A2 (0.43) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL5752813 0.85 SLC6A2 (0.42) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL5751964 0.83 ACHE (0.43) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL5752560 0.82 L3MBTL1 (0.44) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL5751245 0.81 L3MBTL1 (0.41) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL5752766 0.78 MAPK1 (0.47) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL2428821 0.78 MDM2 (0.51) ALDH1A1MMP8TP53LMNAMAPT
SCHEMBL5752812 0.76 PPARG (0.47) POLBALDH1A1SMN1; SMN2MMP8TP53

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 576/4885SLC6A3 1701/4885CHRNA1 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.