SCHEMBL5753904

SCHEMBL5753904

CC(C)(C)c1ccc(CC(N)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.43
PNMT P11086 1/20 0.41
LMNA P02545 1/20 0.39
NR1I2 O75469 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CNR1 P21554 1/20 0.39
HRH1 P35367 1/20 0.39
OPRK1 P41145 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
GHSR Q92847 1/20 0.39
ADRB1 P08588 4/20 0.38
ADRB3 P13945 4/20 0.38
ADRB2 P07550 2/20 0.38
F9 P00740 1/20 0.38
REN P00797 2/20 0.38
AOC3 Q16853 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
EPHX1 P07099 2/20 0.37

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
SCHEMBL5750724 0.89 SLC2A1 (0.40) SLC2A1PNMTADRB1ADRB3ADRB2
SCHEMBL5751748 0.88 PNMT (0.47) SLC2A1PNMTADRB1AOC3
SCHEMBL5753866 0.88 SLC2A1 (0.42) SLC2A1PNMTADRB1ADRB3ADRB2
SCHEMBL5754070 0.87 SLC2A1 (0.43) SLC2A1PNMTADRB1ADRB3ADRB2
SCHEMBL5752334 0.84 SLC2A1 (0.46) SLC2A1CNR1ADRB1ADRB3ADRB2
SCHEMBL5751173 0.81 ADRB3 (0.46) SLC2A1CNR1ADRB1ADRB3ADRB2
SCHEMBL5751392 0.80 SLC2A1 (0.39) SLC2A1PNMTADRB1ADRB3ADRB2
SCHEMBL3939264 0.78 EPHX1 (0.49) SLC2A1LMNAADRB1ADRB3ADRB2
SCHEMBL5752386 0.76 PNMT (0.42) SLC2A1PNMTADRB1ADRB3ADRB2
SCHEMBL5753401 0.72 SLC7A5 (0.45) PNMTAOC3

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 301/4885PNMT 172/4885LMNA 2989/4885

“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.