SCHEMBL1007110

SCHEMBL1007110

NC(=O)CCN1CC[C@@H](F)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
DPP4 P27487 5/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
BCHE P06276 1/20 0.34
DPP7 Q9UHL4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
TARDBP Q13148 1/20 0.33
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL1007601 1.00 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2POLBHTTKMT2A
SCHEMBL1007513 0.93 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2POLBKMT2ALMNA
SCHEMBL1007934 0.93 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2POLBKMT2ALMNA
SCHEMBL1007512 0.93 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2POLBKMT2ALMNA
SCHEMBL1007608 0.88 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2POLBHTTLMNA
SCHEMBL31124637 0.82 GLA (0.46) SMN1; SMN2POLBHTTKMT2ALMNA
SCHEMBL3548693 0.81 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2POLBHTTKMT2A
SCHEMBL1007611 0.80 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2POLBHTTLMNA
SCHEMBL1008772 0.80 KDM4E (0.45) L3MBTL1SMN1; SMN2POLBDPP4DPP8
SCHEMBL1008579 0.80 KDM4E (0.45) L3MBTL1SMN1; SMN2POLBDPP4DPP8

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 8 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
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US 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 3671/4885SMN1; SMN2 1184/4885POLB 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.