SCHEMBL5751748

SCHEMBL5751748

CC(C)(C)c1cccc(CC(N)C(O)c2cccc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
BCHE P06276 4/20 0.40
BACE1 P56817 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
HTR2C P28335 1/20 0.40
CCR9 P51686 1/20 0.38
TACR1 P25103 2/20 0.37
SLC2A1 P11166 1/20 0.37
AOC3 Q16853 1/20 0.36
ADRB1 P08588 1/20 0.36
MIF P14174 1/20 0.36
ADRA1A P35348 1/20 0.36
KIF11 P52732 1/20 0.36

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 0.88 SLC2A1 (0.43) PNMTSLC2A1AOC3ADRB1
SCHEMBL5752090 0.81 CCR9 (0.43) PNMTBCHEBACE1CCR9ADRB1
SCHEMBL5754070 0.81 SLC2A1 (0.43) PNMTSLC2A1AOC3ADRB1ADRA1A
SCHEMBL5750724 0.80 SLC2A1 (0.40) PNMTSLC2A1AOC3ADRB1ADRA1A
SCHEMBL5752386 0.80 PNMT (0.42) PNMTTACR1SLC2A1ADRB1
SCHEMBL5753866 0.79 SLC2A1 (0.42) PNMTSLC2A1AOC3ADRB1ADRA1A
SCHEMBL5752334 0.78 SLC2A1 (0.46) SLC2A1ADRB1ADRA1A
SCHEMBL5750415 0.75 CETP (0.44)
SCHEMBL5750636 0.74 HTR2A (0.47) PNMTBACE1HTR2AHTR2BHTR2C
SCHEMBL5751392 0.73 SLC2A1 (0.39) PNMTTACR1SLC2A1AOC3ADRB1

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 PNMT 172/4885BCHE 334/4885BACE1 835/4885

“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.