SCHEMBL1007120

SCHEMBL1007120

NC(=O)CN1CC[C@H](Cl)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
PGR P06401 1/20 0.34
PRKCI P41743 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CXCR3 P49682 1/20 0.32
ABL1 P00519 1/20 0.31

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
SCHEMBL1006828 1.00 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL12635342 1.00 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL5255963 0.79 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1006087 0.79 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1008772 0.79 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1006226 0.79 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1063621 0.79 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL5848866 0.79 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1008579 0.79 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL6259122 0.79 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2

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 6 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
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 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.