SCHEMBL4100817

SCHEMBL4100817

CCOC(=O)c1ccc(N)cc1N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
LMNA P02545 2/20 0.50
PIK3CA P42336 1/20 0.50
LGMN Q99538 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.48
BRAF P15056 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DGAT1 O75907 1/20 0.45
SOAT1 P35610 1/20 0.45

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
SCHEMBL15487529 0.90 GAA (0.58) GAALMNAPIK3CALGMNALDH1A1
SCHEMBL13711652 0.87 GAA (0.54) GAALMNAPIK3CAALDH1A1KDM4E
SCHEMBL17113124 0.85 GAA (0.51) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL25258059 0.85 GAA (0.53) GAALMNAPIK3CAALDH1A1KDM4E
SCHEMBL18395032 0.85 KDM4E (0.53) GAALMNAPIK3CAALDH1A1KDM4E
SCHEMBL18395696 0.81 KDM4E (0.62) GAALMNAPIK3CAALDH1A1KDM4E
SCHEMBL6609202 0.81 GAA (0.59) GAALMNAPIK3CAALDH1A1KDM4E
SCHEMBL20097526 0.81 PRKDC (0.55) GAALGMNALDH1A1KDM4EHPGD
SCHEMBL4099074 0.81 KMT2A (0.64) LMNAALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL21430925 0.80 LGMN (0.57) GAALMNAPIK3CALGMNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 WO claimed
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
CN-101175724-B pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-07 CN 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
CN-101175724-A Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC (JP) 2008-05-07 CN 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 GAA 601/4885LMNA 4308/4885PIK3CA 2212/4885

“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.