SCHEMBL5750741

SCHEMBL5750741

CC1(C)COc2ccc(CC(N)C(O)c3cccc(Cl)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.39
ADRB3 P13945 4/20 0.39
ADRB1 P08588 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
PNMT P11086 1/20 0.37
TAAR1 Q96RJ0 3/20 0.35
SLC2A1 P11166 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL5752036 0.84 ADRB3 (0.43) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL5755722 0.75 ADRB3 (0.37) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL5781263 0.72 PTGS1 (0.41) TAAR1SLC6A2SLC6A4SLC6A3PTGS1
SCHEMBL5753904 0.72 SLC2A1 (0.43) ADRB2ADRB3ADRB1PNMTSLC2A1
SCHEMBL5754070 0.72 SLC2A1 (0.43) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL5658006 0.71 BACE1 (0.45) TAAR1SLC6A2SLC6A4SLC6A3PTGS1
SCHEMBL3550976 0.71 RARB (0.47) PTGS1PTGS2NOTUMBACE1RARA
SCHEMBL5751748 0.71 PNMT (0.47) ADRB1ADRA1APNMTSLC2A1AOC3
SCHEMBL5752156 0.69 KMT2A (0.37) SMN1; SMN2TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL5750724 0.69 SLC2A1 (0.40) ADRB2ADRB3ADRB1ADRA1DADRA1A

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 ADRB2 177/4885ADRB3 85/4885ADRB1 57/4885

“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.