SCHEMBL1007316

SCHEMBL1007316

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.42
S1PR5 Q9H228 7/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
NOTUM Q6P988 5/20 0.40
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL1008401 1.00 SMN1; SMN2 (0.44) SMN1; SMN2KDM4ES1PR5S1PR4S1PR1
SCHEMBL7459216 1.00 SMN1; SMN2 (0.44) SMN1; SMN2KDM4ES1PR5S1PR4S1PR1
SCHEMBL9912438 0.88 KDM4E (0.50) SMN1; SMN2KDM4EPOLBPKMTSHR
SCHEMBL12635335 0.86 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1POLBPKM
SCHEMBL12635333 0.86 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1POLBPKM
SCHEMBL24131518 0.78 MEN1 (0.44) SMN1; SMN2KDM4ES1PR5S1PR4S1PR1
SCHEMBL22440366 0.78 MEN1 (0.44) SMN1; SMN2KDM4ES1PR5S1PR4S1PR1
SCHEMBL3264345 0.78 CYP1A2 (0.46) SMN1; SMN2S1PR5S1PR4S1PR1S1PR3
SCHEMBL29210116 0.76 KDM4E (0.53) SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL1006828 0.76 KDM4E (0.45) SMN1; SMN2KDM4EALDH1A1POLBPKM

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 SMN1; SMN2 1184/4885KDM4E 1799/4885S1PR5 729/4885

“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.