SCHEMBL5752386

SCHEMBL5752386

CC(C)(C)COc1cccc(CC(N)C(O)c2cccc(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
ADRB1 P08588 4/20 0.40
ADRB3 P13945 4/20 0.40
PKM P14618 1/20 0.39
TAAR1 Q96RJ0 2/20 0.37
ADRB2 P07550 2/20 0.37
SLC2A1 P11166 2/20 0.36
CASR P41180 1/20 0.36
TACR1 P25103 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 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
SCHEMBL5753519 0.84 ADRB3 (0.46) ADRB1ADRB3PKMADRB2MAOA
SCHEMBL5751748 0.80 PNMT (0.47) PNMTADRB1SLC2A1TACR1
SCHEMBL5750415 0.80 CETP (0.44)
SCHEMBL5754070 0.78 SLC2A1 (0.43) PNMTADRB1ADRB3ADRB2SLC2A1
SCHEMBL5752334 0.78 SLC2A1 (0.46) ADRB1ADRB3ADRB2SLC2A1
SCHEMBL5755554 0.76 TAAR1 (0.40) PNMTTAAR1SLC2A1
SCHEMBL5753904 0.76 SLC2A1 (0.43) PNMTADRB1ADRB3ADRB2SLC2A1
SCHEMBL5750783 0.75 HTT (0.41) ADRB1ADRB3ADRB2
SCHEMBL10064785 0.74 WDR5 (0.50) PKMMAOBPOLB
SCHEMBL5752012 0.73 ADRB1 (0.37) ADRB1ADRB3MAOB

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 172/4885ADRB1 57/4885ADRB3 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.