SCHEMBL1006793

SCHEMBL1006793

NC(=O)CCN1CCC[C@H](O)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 4/20 0.42
BCHE P06276 1/20 0.42
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
HTR1A P08908 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL1007857 1.00 L3MBTL1 (0.58) L3MBTL1ALDH1A1BCHEPDCD1CD274
SCHEMBL1008402 1.00 L3MBTL1 (0.58) L3MBTL1ALDH1A1BCHEPDCD1CD274
SCHEMBL8296869 0.91 BCHE (0.51) L3MBTL1ALDH1A1BCHEPDCD1CD274
SCHEMBL3548693 0.89 L3MBTL1 (0.52) L3MBTL1ALDH1A1PDCD1CD274HRH3
Hydrochloric Acid SCHEMBL2673576 0.87 L3MBTL1 (0.50) L3MBTL1ALDH1A1PDCD1CD274HRH3
SCHEMBL3260407 0.84 ALDH1A1 (0.47) ALDH1A1PDCD1CD274HTR1AKDM4E
SCHEMBL1007512 0.82 L3MBTL1 (0.58) L3MBTL1ALDH1A1BCHEMAPTPOLB
SCHEMBL1007934 0.82 L3MBTL1 (0.58) L3MBTL1ALDH1A1BCHEMAPTPOLB
SCHEMBL1010139 0.82 L3MBTL1 (0.58) L3MBTL1ALDH1A1BCHEHRH2HRH1
SCHEMBL12635274 0.82 HTR1A (0.43) ALDH1A1BCHEPDCD1CD274HTR1A

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
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
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 3671/4885ALDH1A1 3450/4885BCHE 1420/4885

“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.