SCHEMBL1007939

SCHEMBL1007939

NC(=O)CCN1CCC(F)(F)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
GLA P06280 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL30088871 0.89 L3MBTL1 (0.46) L3MBTL1MAPTALDH1A1ITGB3ITGA2B
SCHEMBL14142600 0.89 L3MBTL1 (0.50) L3MBTL1MAPTPOLBALDH1A1ITGB3
Hydrochloric Acid SCHEMBL2673868 0.87 L3MBTL1 (0.48) L3MBTL1MAPTPOLBALDH1A1ITGB3
SCHEMBL8860545 0.80 L3MBTL1 (0.77) L3MBTL1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL11598668 0.80 L3MBTL1 (0.77) L3MBTL1MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL1006602 0.80 L3MBTL1 (0.59) L3MBTL1MAPTPOLBALDH1A1ITGB3
SCHEMBL12635264 0.80 PAOX (0.43) L3MBTL1MAPTPOLBALDH1A1NOS3
SCHEMBL1006696 0.79 KDM4E (0.52) L3MBTL1POLBALDH1A1HRH3KDM4E
SCHEMBL31269932 0.78 L3MBTL1 (0.62) L3MBTL1MAPTPOLBALDH1A1ITGB3
SCHEMBL31269835 0.78 L3MBTL1 (0.62) L3MBTL1MAPTPOLBALDH1A1ITGB3

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 9 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

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 1257/4885POLB 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.