SCHEMBL5752146

SCHEMBL5752146

CC1(C)COc2ccc(CC(NC(=O)c3cccc4c3C=CCCC4)C(O)c3cccc(Cl)c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.37
ADRB2 P07550 3/20 0.34
ADRB3 P13945 3/20 0.34
ADRB1 P08588 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CTSV O60911 1/20 0.32
CTSS P25774 1/20 0.32
BACE1 P56817 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGER4 P35408 1/20 0.30

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
SCHEMBL5752534 0.83 CTSL (0.38) CTSLADRB2ADRB3ADRB1ADRA1D
SCHEMBL5752652 0.83 CTSL (0.38) CTSLADRB2ADRB3ADRB1ADRA1D
SCHEMBL5751663 0.82 CTSL (0.39) CTSLCTSVCTSSBACE1PTGER4
SCHEMBL5751548 0.82 ADRB2 (0.37) CTSLADRB2ADRB3ADRB1ADRA2A
SCHEMBL5751398 0.81 CNR1 (0.37) CTSLADRB2ADRB3ADRB1ADRA1D
SCHEMBL5752403 0.80 CTSL (0.36) CTSLADRB2ADRB3ADRB1ADRA1D
SCHEMBL5752438 0.80 CTSL (0.36) CTSLCTSVCTSSBACE1PTGER4
SCHEMBL5755722 0.80 ADRB3 (0.37) CTSLADRB2ADRB3ADRB1ADRA2A
SCHEMBL5750071 0.79 CTSL (0.37) CTSLADRB3ADRB1PTGER4
SCHEMBL5748991 0.77 UGCG (0.36) CTSLADRB3ADRB1PTGER4

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 CTSL 2240/4885ADRB2 177/4885ADRB3 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.