SCHEMBL4114787

SCHEMBL4114787

O=C(O)NC1CCN(C(=O)C(c2ccc(OC(F)(F)F)cc2)C2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.54
EPHX1 P07099 3/20 0.50
CHRM3 P20309 3/20 0.47
DPP4 P27487 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3961847 0.83 EPHX2 (0.50) EPHX2EPHX1DPP4DPP7DPP8
SCHEMBL4847465 0.82 CHRM3 (0.43) EPHX2EPHX1CHRM3
SCHEMBL4955085 0.82 CHRM3 (0.43) EPHX2EPHX1CHRM3
SCHEMBL4053842 0.81 EPHX2 (0.51) EPHX2EPHX1DPP4DPP7DPP8
SCHEMBL4757343 0.79 POLB (0.54) EPHX2CHRM3
SCHEMBL1565871 0.78 EPHX2 (0.49) EPHX2EPHX1DPP4DPP7KCNH2
SCHEMBL4117389 0.77 CHRM3 (0.42) EPHX2EPHX1CHRM3
SCHEMBL4847784 0.77 CHRM3 (0.42) EPHX2EPHX1CHRM3
SCHEMBL23573338 0.76 EPHX2 (0.72) EPHX2EPHX1
SCHEMBL10006938 0.75 SLC6A3 (0.56) EPHX2EPHX1DPP4DPP7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550485-B2 Substituted N-heterocycle derivatives and methods of their use WYETH (US) 2009-06-23 US disclosed
US-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use WYETH (US) 2005-08-25 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-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use MAOA, MAOB, SDHA EPHX2 1464/4885EPHX1 1387/4885CHRM3 1108/4885

“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.