SCHEMBL4100243

SCHEMBL4100243

O=C(N1CCC(CO)C1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.43
EPHX1 P07099 4/20 0.43
PDK2 Q15119 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ALOX5 P09917 1/20 0.36
KLRK1 P26718 1/20 0.35
MICA Q29983 1/20 0.35
KDM1A O60341 1/20 0.35
SCN9A Q15858 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL26760225 1.00 EPHX2 (0.43) EPHX2EPHX1PDK2DPP8DPP7
SCHEMBL18667410 1.00 EPHX2 (0.43) EPHX2EPHX1PDK2DPP8DPP7
SCHEMBL2069876 0.89 EPHX2 (0.52) EPHX2CYP3A4CYP2C19CHRM2CHRM1
SCHEMBL4577748 0.89 EPHX1 (0.48) EPHX2EPHX1PDK2DPP8DPP7
SCHEMBL18307629 0.81 NR1H2 (0.39) EPHX2PDK2DPP8DPP7ALOX5
SCHEMBL3963077 0.81 NR1H2 (0.39) EPHX2PDK2DPP8DPP7ALOX5
SCHEMBL1652121 0.79 EPHX1 (0.47) EPHX2EPHX1KDM1A
SCHEMBL28132227 0.78 LIPE (0.41) EPHX2PDK2ALOX5CYP3A4CYP2C19
SCHEMBL27989426 0.78 LIPE (0.41) EPHX2PDK2ALOX5CYP3A4CYP2C19
SCHEMBL28132225 0.78 LIPE (0.41) EPHX2PDK2ALOX5CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 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-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R EPHX2 2699/4885EPHX1 2138/4885PDK2 999/4885

“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.