SCHEMBL5752652

SCHEMBL5752652

CC(C)(C)Cc1ccc(CC(NC(=O)c2cccc3c2C=CCCC3)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.38
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
PTGER4 P35408 1/20 0.33
PSMB5 P28074 1/20 0.32
ADRB3 P13945 4/20 0.32
ADRB1 P08588 3/20 0.32
BACE1 P56817 7/20 0.32
CTSD P07339 2/20 0.32
PYGL P06737 1/20 0.31
SLC2A1 P11166 1/20 0.31
ADRB2 P07550 2/20 0.31
CTSV O60911 1/20 0.31
CTSS P25774 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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 0.92 CTSL (0.38) CTSLCNR1CNR2PTGER4PSMB5
SCHEMBL5752438 0.91 CTSL (0.36) CTSLCNR2PTGER4PSMB5BACE1
SCHEMBL5751398 0.90 CNR1 (0.37) CTSLCNR1CNR2ADRB3ADRB1
SCHEMBL5752403 0.89 CTSL (0.36) CTSLCNR1CNR2PTGER4PSMB5
SCHEMBL5751663 0.88 CTSL (0.39) CTSLPTGER4BACE1CTSDCTSV
SCHEMBL5750071 0.86 CTSL (0.37) CTSLCNR1CNR2PTGER4ADRB3
SCHEMBL5752146 0.83 CTSL (0.37) CTSLPTGER4ADRB3ADRB1BACE1
SCHEMBL5748991 0.82 UGCG (0.36) CTSLCNR1CNR2PTGER4ADRB3
SCHEMBL2139706 0.80 OPRM1 (0.37) PTGER4BACE1CYP1A2CYP2D6CYP2C9
SCHEMBL2136000 0.79 PTGER4 (0.39) PTGER4PSMB5BACE1BACE2CYP1A2

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 2240/4885CNR1 401/4885CNR2 485/4885

“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.