SCHEMBL5754364

SCHEMBL5754364

CC(C)(C)Oc1ccc(CC(NC(=O)c2cccc3c(Cl)cccc23)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.40
CNR2 P34972 6/20 0.40
ADRB2 P07550 9/20 0.39
ADRB3 P13945 9/20 0.39
ADRB1 P08588 5/20 0.39
CYP2D6 P10635 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GLA P06280 1/20 0.38
SLC2A1 P11166 1/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
HTT P42858 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
SCHEMBL5752643 0.90 CNR1 (0.42) CNR1CNR2ADRB2ADRB3ADRB1
SCHEMBL1897805 0.88 BACE1 (0.39) CNR1CNR2ADRB3ADRB1CYP1A2
SCHEMBL5755168 0.88 CTSV (0.37) CNR1CNR2ADRB2ADRB3ADRB1
SCHEMBL5751447 0.86 CTSV (0.36) CNR1CNR2ADRB2ADRB3ADRB1
SCHEMBL5752027 0.85 FFAR2 (0.37) ADRB2ADRB3ADRB1CYP2D6ADRA1D
SCHEMBL5751364 0.84 BACE1 (0.41) HTT
SCHEMBL5750783 0.83 HTT (0.41) CNR1CNR2ADRB2ADRB3ADRB1
SCHEMBL5753489 0.83 PTGER4 (0.37) CNR1CNR2ADRB2ADRB3ADRB1
SCHEMBL5752397 0.83 SMO (0.35) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL5751398 0.80 CNR1 (0.37) CNR1CNR2ADRB2ADRB3ADRB1

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 CNR1 401/4885CNR2 485/4885ADRB2 177/4885

“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.