SCHEMBL5752908

SCHEMBL5752908

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
ADRB1 P08588 4/20 0.35
ADRB3 P13945 4/20 0.35
CNR1 P21554 3/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
CNR2 P34972 2/20 0.35
CTSB P07858 1/20 0.35
PSMB5 P28074 2/20 0.35
SLC6A9 P48067 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
BACE1 P56817 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DCAF1 Q9Y4B6 3/20 0.33
FFAR2 O15552 1/20 0.33

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) MCHR1ADRB1ADRB3CNR1CTSV
SCHEMBL5754553 0.90 ADRB3 (0.39) MCHR1ADRB1ADRB3CNR1CTSV
SCHEMBL5751447 0.90 CTSV (0.36) ADRB1ADRB3CNR1CTSVCTSL
SCHEMBL5749506 0.89 ADRB3 (0.37) MCHR1ADRB1ADRB3CNR1CTSV
SCHEMBL5752124 0.89 BACE1 (0.38) MCHR1ADRB1ADRB3CNR1CTSV
SCHEMBL5752643 0.86 CNR1 (0.42) ADRB1ADRB3CNR1CNR2CYP2D6
SCHEMBL5752893 0.86 BACE1 (0.42) ADRB1ADRB3CTSVCTSLCTSS
SCHEMBL5754506 0.84 ADRB3 (0.37) MCHR1ADRB1ADRB3CNR1CTSV
SCHEMBL5752802 0.84 ADRB3 (0.36) MCHR1ADRB1ADRB3CTSVCTSL
SCHEMBL5751593 0.81 MCHR1 (0.47) MCHR1CNR1CNR2SLC6A9BACE1

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 MCHR1 1618/4885ADRB1 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.