SCHEMBL4100821

SCHEMBL4100821

CC(C)(C)[Si](C)(C)OCC1CCN(C(=O)C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 1/20 0.35
▸ EPHX1 P07099 2/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ RBP4 P02753 2/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ PDK2 Q15119 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL16096341 0.85 RBP4 (0.39) FKBP1ADPP8DPP7RBP4MEN1
SCHEMBL21987460 0.79 FKBP1A (0.36) FKBP1ARBP4MEN1KMT2A
SCHEMBL9199384 0.76 NR1D1 (0.38) FKBP1ARBP4RAB9A
Trifluoroacetic Acid SCHEMBL14761998 0.76 DPP8 (0.35) FKBP1ADPP8DPP7
SCHEMBL17042173 0.75 GLS (0.48) EPHX1
SCHEMBL24930132 0.74 FKBP1A (0.34) FKBP1ARBP4CNR2
SCHEMBL18667410 0.73 EPHX2 (0.43) EPHX1DPP8DPP7EPHX2PDK2
SCHEMBL26760225 0.73 EPHX2 (0.43) EPHX1DPP8DPP7EPHX2PDK2
SCHEMBL4100243 0.73 EPHX2 (0.43) EPHX1DPP8DPP7EPHX2PDK2
SCHEMBL25587594 0.70 RBP4 (0.40) RBP4MEN1NPC1RAB9AKMT2A

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 FKBP1A 996/4885EPHX1 2138/4885DPP8 1506/4885

“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.

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