SCHEMBL5752334

SCHEMBL5752334

CC(C)(C)Oc1ccc(CC(N)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.46
ADRB2 P07550 10/20 0.43
ADRB3 P13945 10/20 0.43
ADRB1 P08588 6/20 0.43
CYP2D6 P10635 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLA P06280 1/20 0.41
CNR1 P21554 5/20 0.40
CNR2 P34972 4/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL5753904 0.84 SLC2A1 (0.43) SLC2A1ADRB2ADRB3ADRB1CNR1
SCHEMBL5754070 0.84 SLC2A1 (0.43) SLC2A1ADRB2ADRB3ADRB1CYP2D6
SCHEMBL5750161 0.82 ADRB3 (0.48) SLC2A1ADRB2ADRB3ADRB1CYP2D6
SCHEMBL5750724 0.81 SLC2A1 (0.40) SLC2A1ADRB2ADRB3ADRB1CYP2D6
SCHEMBL5753866 0.80 SLC2A1 (0.42) SLC2A1ADRB2ADRB3ADRB1CYP2D6
SCHEMBL5752386 0.78 PNMT (0.42) SLC2A1ADRB2ADRB3ADRB1
SCHEMBL5751748 0.78 PNMT (0.47) SLC2A1ADRB1ADRA1A
SCHEMBL5751392 0.77 SLC2A1 (0.39) SLC2A1ADRB2ADRB3ADRB1ADRA1D
SCHEMBL5750415 0.75 CETP (0.44)
SCHEMBL8716718 0.73 SLC6A4 (0.49) SLC2A1ADRB2ADRB3ADRB1CYP2D6

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 SLC2A1 301/4885ADRB2 177/4885ADRB3 85/4885

“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.