SCHEMBL1006443

SCHEMBL1006443

NC(=O)CN1CCC(CO)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX5 P09917 1/20 0.35
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SCN9A Q15858 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
SCHEMBL1006825 0.88 KDM4E (0.42) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1008629 0.88 KDM4E (0.42) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL12635338 0.88 KDM4E (0.42) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL23523301 0.83 KDM4E (0.50) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL6526883 0.82 KDM4E (0.48) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL11981499 0.82 KDM4E (0.48) KDM4ETSHRPOLBPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL23522810 0.82 KDM4E (0.48) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL18173237 0.81 HSD17B10 (0.47) ALOX5ARG1ARG2MAOAMAOB
SCHEMBL5472061 0.80 KDM4E (0.56) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1008631 0.80 L3MBTL1 (0.57) KDM4EPOLBSMN1; SMN2ALDH1A1ALOX5

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
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 WO disclosed
CN-1620294-A Pyrimidine A2BSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2005-05-25 CN 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 KDM4E 1799/4885TSHR 4503/4885POLB 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.