SCHEMBL1007466

SCHEMBL1007466

NC(=O)CN1CCC[C@@H](O)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 5/20 0.42
POLB P06746 3/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL1006533 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBTSHRPKM
SCHEMBL1007468 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBTSHRPKM
SCHEMBL1006837 0.88 KDM4E (0.45) ALDH1A1KDM4EPOLBTSHRPKM
SCHEMBL1006087 0.88 KDM4E (0.45) ALDH1A1KDM4EPOLBTSHRPKM
SCHEMBL5255963 0.88 KDM4E (0.45) ALDH1A1KDM4EPOLBTSHRPKM
SCHEMBL29108930 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBTSHRHPGD
SCHEMBL1008402 0.81 L3MBTL1 (0.58) ALDH1A1KDM4EPOLBTSHRHPGD
SCHEMBL1007857 0.81 L3MBTL1 (0.58) ALDH1A1KDM4EPOLBTSHRHPGD
SCHEMBL1006793 0.81 L3MBTL1 (0.58) ALDH1A1KDM4EPOLBTSHRHPGD
SCHEMBL12226455 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBTSHRHPGD

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 ALDH1A1 3450/4885KDM4E 1799/4885POLB 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.