SCHEMBL5755248

SCHEMBL5755248

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.48
DRD4 P21917 1/20 0.44
KCNJ11 Q14654 1/20 0.43
EPHX2 P34913 2/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
MAPK14 Q16539 1/20 0.42
TACR1 P25103 1/20 0.41
ACP3 P15309 3/20 0.41
CNR2 P34972 1/20 0.41
MCHR1 Q99705 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5749156 0.96 PIN1 (0.45) PIN1DRD4KCNJ11EPHX2PPARG
SCHEMBL5752865 0.94 PIN1 (0.57) PIN1DRD4KCNJ11ACP3MCHR1
SCHEMBL5751363 0.92 DRD4 (0.51) PIN1DRD4MCHR1ALDH1A1
SCHEMBL5751032 0.88 MCHR1 (0.47) PIN1DRD4KCNJ11ACP3MCHR1
SCHEMBL5753716 0.84 DRD4 (0.43) DRD4KCNJ11TACR1RAB9AGAA
SCHEMBL5751679 0.80 PPARG (0.44) PIN1DRD4EPHX2PPARGPPARA
SCHEMBL5751577 0.80 RAB9A (0.39) MCHR1NPC1RAB9AGAAMAPT
SCHEMBL5752263 0.79 DRD4 (0.48) PIN1DRD4CNR2MCHR1GAA
SCHEMBL5751220 0.79 DRD4 (0.48) PIN1DRD4CNR2MCHR1GAA
SCHEMBL7126078 0.78 DRD4 (0.48) PIN1DRD4CNR2MCHR1ALDH1A1

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 PIN1 4717/4885DRD4 1838/4885KCNJ11 3921/4885

“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.