SCHEMBL5753546

SCHEMBL5753546

O=C(NC(Cc1cccc(OCC(F)(F)C(F)F)c1)C(O)c1ccc(F)cc1)c1ccc(F)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
BACE1 P56817 7/20 0.36
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5748432 0.93 NPSR1 (0.37) BACE1MCHR1KDM4ENPSR1LMNA
SCHEMBL5754542 0.89 CETP (0.39) BACE1LMNAMAPT
SCHEMBL1900658 0.89 CETP (0.39) BACE1LMNAMAPT
SCHEMBL1900660 0.89 CETP (0.39) BACE1LMNAMAPT
SCHEMBL5751747 0.87 MCHR1 (0.34) BACE1MCHR1CTSBDGAT2
SCHEMBL5755540 0.87 MAPK14 (0.41) BACE1UGCG
SCHEMBL5752714 0.85 PPARG (0.39) BACE1CNR2
SCHEMBL5749779 0.85 CETP (0.40) BACE1LMNAALDH1A1
SCHEMBL5752370 0.85 BACE1 (0.41) BACE1KDM4ECNR2MDM2ALDH1A1
SCHEMBL5751020 0.83 MDM2 (0.43) BACE1MCHR1TDP1LMNAMEN1

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 HTR1A 415/4885DRD2 1864/4885HTR2A 705/4885

“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.