SCHEMBL4296664

SCHEMBL4296664

O=C(NCCN(Cc1ccccc1)C(=O)c1c[nH]c2ccccc12)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.52
TRPV1 Q8NER1 2/20 0.51
DGAT1 O75907 2/20 0.49
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP2J2 P51589 1/20 0.47
CFTR P13569 1/20 0.45
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
HTR2C P28335 1/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 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
SCHEMBL4300137 0.85 TRPV1 (0.60) EPHX2TRPV1DGAT1HDAC1HDAC6
SCHEMBL4409346 0.75 TRPV1 (0.46) EPHX2TRPV1DGAT1HDAC1HDAC6
SCHEMBL13611460 0.72 DGAT1 (0.62) EPHX2TRPV1DGAT1CYP2C9CYP2C19
SCHEMBL4553345 0.71 DGAT1 (0.58) EPHX2TRPV1DGAT1CYP2C9CYP2C19
SCHEMBL13611480 0.70 DGAT1 (0.65) EPHX2DGAT1HDAC1CYP2C9CYP2C19
SCHEMBL5947865 0.69 EPHX2 (1.00) EPHX2TRPV1DGAT1CYP2C9CYP2C19
SCHEMBL4296706 0.69 DGAT1 (0.62) EPHX2TRPV1DGAT1HDAC1CYP2C9
SCHEMBL4251142 0.69 EPHX2 (0.67) EPHX2TRPV1DGAT1CYP2C9CYP2C19
SCHEMBL4291779 0.68 DGAT1 (0.67) EPHX2TRPV1DGAT1HDAC1CYP2C9
SCHEMBL4302935 0.68 DGAT1 (0.62) EPHX2TRPV1DGAT1CYP2C9CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 EPHX2 1912/4885TRPV1 3993/4885DGAT1 3/4885

“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.