SCHEMBL1006987

SCHEMBL1006987

NC(=O)CCN1CCCC(F)(F)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GRM2 Q14416 1/20 0.36
SLC6A1 P30531 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
BDKRB1 P46663 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
HSD11B1 P28845 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 1/20 0.30
OPRM1 P35372 1/20 0.30
ADORA2A P29274 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
SCHEMBL29466212 0.90 L3MBTL1 (0.44) L3MBTL1MAPTALDH1A1POLBGRM2
SCHEMBL14142600 0.89 L3MBTL1 (0.50) L3MBTL1MAPTALDH1A1POLBGRM2
Hydrochloric Acid SCHEMBL2673868 0.88 L3MBTL1 (0.48) L3MBTL1MAPTALDH1A1POLBGRM2
SCHEMBL12635284 0.83 MAPT (0.40) L3MBTL1MAPTALDH1A1POLBGRM2
SCHEMBL1008695 0.82 KDM4E (0.41) L3MBTL1ALDH1A1POLBGRM2SLC6A1
SCHEMBL1007939 0.78 L3MBTL1 (0.59) L3MBTL1MAPTALDH1A1POLBGRM2
SCHEMBL30854371 0.78 CYP1A2 (0.58) MAPTALDH1A1POLBSLC6A1HRH3
SCHEMBL18939342 0.77 CYP1A2 (0.51) MAPTALDH1A1POLBSLC6A1HRH3
SCHEMBL19948483 0.76 KDM4E (0.33) ALDH1A1GRM2SLC6A1HRH3KDM4E
SCHEMBL15808617 0.76 ALOX15 (0.42) GRM2SLC6A1HRH3OPRM1ADORA2A

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 10 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
CN-102036956-A Substituted pyrrolidine and piperidine compounds, derivatives thereof, and methods for treating pain CHLORION PHARMA INC 2011-04-27 CN 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
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US disclosed
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US disclosed
CN-102036956-A Substituted pyrrolidine and piperidine compounds, derivatives thereof, and methods for treating pain CHLORION PHARMA INC 2011-04-27 CN disclosed
EP-2268616-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN Chlorion Pharma, Inc. (CA) 2011-01-05 EP disclosed
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 WO disclosed
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 WO 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-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN PAM, PNN, NOD1 L3MBTL1 3671/4885MAPT 1257/4885ALDH1A1 3450/4885

“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.