SCHEMBL5753540

SCHEMBL5753540

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 2/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
UGCG Q16739 1/20 0.39
MAPT P10636 1/20 0.39
NTRK1 P04629 1/20 0.38
PDE2A O00408 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
FPR2 P25090 1/20 0.38
P2RX7 Q99572 1/20 0.38
KIFC1 Q9BW19 1/20 0.38
HSD17B2 P37059 1/20 0.38
SLC6A9 P48067 1/20 0.37

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
SCHEMBL5750131 0.90 MCHR1 (0.43) CNR2NOS3NOS1NOS2UGCG
SCHEMBL5752315 0.88 CNR2 (0.45) LMNACNR2NOS3NOS1NOS2
SCHEMBL1900075 0.88 MCHR1 (0.49) CNR2NOS3NOS1NOS2UGCG
SCHEMBL5750602 0.88 MCHR1 (0.49) CNR2NOS3NOS1NOS2UGCG
SCHEMBL1900073 0.88 MCHR1 (0.49) CNR2NOS3NOS1NOS2UGCG
SCHEMBL5750997 0.88 MCHR1 (0.49) CNR2NOS3NOS1NOS2UGCG
SCHEMBL5751220 0.88 DRD4 (0.48) LMNACNR2MAPTPDE2AKIFC1
SCHEMBL5752263 0.88 DRD4 (0.48) LMNACNR2MAPTPDE2AKIFC1
SCHEMBL5752206 0.88 MTTP (0.48) KIFC1
SCHEMBL5751409 0.86 ALDH1A1 (0.48) LMNACNR2NOS3NOS1NOS2

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 TRPV1 2513/4885LMNA 2989/4885CNR2 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.