SCHEMBL5752263

SCHEMBL5752263

O=C(NC(Cc1ccc(F)cc1)C(O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.48
MCHR1 Q99705 1/20 0.47
BACE1 P56817 1/20 0.41
HDAC2 Q92769 2/20 0.40
PTGER4 P35408 1/20 0.40
PTGDR Q13258 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
MMP3 P08254 1/20 0.40
CCR3 P51677 3/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL5751220 1.00 DRD4 (0.48) DRD4MCHR1BACE1HDAC2PTGER4
SCHEMBL5753785 0.93 HDAC8 (0.46) BACE1HDAC2HDAC8MMP3CCR3
SCHEMBL5753845 0.92 DRD4 (0.41) DRD4MCHR1HDAC2PTGER4PTGDR
SCHEMBL5750142 0.91 DRD4 (0.40) DRD4MCHR1BACE1PTGER4PTGDR
SCHEMBL5753159 0.91 DRD4 (0.39) DRD4MCHR1PTGER4PTGDRPDE2A
SCHEMBL5752112 0.90 DRD4 (0.50) DRD4MCHR1BACE1PTGER4PTGDR
SCHEMBL5750131 0.90 MCHR1 (0.43) DRD4MCHR1PTGER4PTGDRMAPT
SCHEMBL7126078 0.89 DRD4 (0.48) DRD4MCHR1BACE1HDAC2PTGER4
SCHEMBL5751322 0.88 ITGB1 (0.41) DRD4MCHR1PTGER4PTGDRMAPT
SCHEMBL1900073 0.88 MCHR1 (0.49) DRD4MCHR1ALDH1A1PDE2ACNR2

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 DRD4 1838/4885MCHR1 1618/4885BACE1 835/4885

“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.