SCHEMBL5754553

SCHEMBL5754553

CC(C)(C)C(F)(F)c1ccc(CC(NC(=O)c2ccc(F)c3ccccc23)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.39
ADRB1 P08588 6/20 0.39
MCHR1 Q99705 1/20 0.39
FFAR2 O15552 1/20 0.37
CNR1 P21554 2/20 0.35
ADRB2 P07550 2/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CNR2 P34972 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC2A1 P11166 1/20 0.35
PSMB5 P28074 2/20 0.35
MMEL1 Q495T6 1/20 0.35
SLC6A9 P48067 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
ADRA1D P25100 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
SCHEMBL5751559 0.92 BACE1 (0.40) ADRB3ADRB1MCHR1CNR1CTSV
SCHEMBL5752027 0.90 FFAR2 (0.37) ADRB3ADRB1FFAR2ADRB2CTSV
SCHEMBL5752908 0.90 MCHR1 (0.37) ADRB3ADRB1MCHR1FFAR2CNR1
SCHEMBL5752124 0.89 BACE1 (0.38) ADRB3ADRB1MCHR1FFAR2CNR1
SCHEMBL5749506 0.89 ADRB3 (0.37) ADRB3ADRB1MCHR1CNR1CTSV
SCHEMBL5754506 0.86 ADRB3 (0.37) ADRB3ADRB1MCHR1CNR1ADRB2
SCHEMBL5752643 0.86 CNR1 (0.42) ADRB3ADRB1CNR1ADRB2CNR2
SCHEMBL5752802 0.86 ADRB3 (0.36) ADRB3ADRB1MCHR1CTSVCTSL
SCHEMBL5752893 0.86 BACE1 (0.42) ADRB3ADRB1CTSVCTSLCTSB
SCHEMBL5751593 0.83 MCHR1 (0.47) MCHR1FFAR2CNR1CNR2SLC6A9

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 ADRB3 85/4885ADRB1 57/4885MCHR1 1618/4885

“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.