SCHEMBL1010131

SCHEMBL1010131

N#C[C@@H]1CCN(CC(N)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
PGR P06401 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAP3K14 Q99558 2/20 0.32
DPP7 Q9UHL4 3/20 0.31
KDM1A O60341 1/20 0.31
PRKCI P41743 1/20 0.31
MCL1 Q07820 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL1006688 1.00 KDM4E (0.40) KDM4ETSHRPOLBPKMPGR
SCHEMBL12635341 1.00 KDM4E (0.40) KDM4ETSHRPOLBPKMPGR
SCHEMBL26180864 0.84 HSD17B10 (0.37) L3MBTL3HRH3
SCHEMBL14738872 0.78 L3MBTL3 (0.32) SMN1; SMN2L3MBTL3MAP3K14
SCHEMBL18524443 0.78 L3MBTL3 (0.32) SMN1; SMN2L3MBTL3MAP3K14
SCHEMBL12311375 0.78 MCL1 (0.36) KDM4ETSHRL3MBTL3HRH3KDM1A
SCHEMBL28166706 0.78 L3MBTL3 (0.35) L3MBTL3HRH3
SCHEMBL26906156 0.75
SCHEMBL1006087 0.73 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1006828 0.73 KDM4E (0.45) KDM4ETSHRPOLBPKMPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US claimed
EP-2268616-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN Chlorion Pharma, Inc. (CA) 2011-01-05 EP claimed
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 WO claimed

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-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN PAM, PNN, NOD1 KDM4E 1799/4885TSHR 4503/4885POLB 1933/4885

“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.