SCHEMBL4511809

SCHEMBL4511809

O=C(O)N1CC[C@H](NC2CC3CCC2C3)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
EPHX1 P07099 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 3/20 0.39
KDM1A O60341 3/20 0.36
DPP4 P27487 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 3/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL13712518 0.80 HSD11B1 (0.52) OPRK1EPHX1ALDH1A1EPHX2HSD11B1
SCHEMBL4518574 0.79 EPHX2 (0.36) EPHX1EPHX2KDM1AHSD11B1THRB
SCHEMBL4518570 0.79 EPHX2 (0.36) EPHX1EPHX2KDM1AHSD11B1THRB
SCHEMBL29134343 0.78 THRB (0.42) EPHX1ALDH1A1EPHX2KDM1AMAOA
SCHEMBL29134344 0.78 THRB (0.42) EPHX1ALDH1A1EPHX2KDM1AMAOA
SCHEMBL671290 0.75 THRB (0.51) OPRK1EPHX1ALDH1A1EPHX2THRB
SCHEMBL4112587 0.75 THRB (0.51) OPRK1EPHX1ALDH1A1EPHX2THRB
SCHEMBL4122335 0.75 THRB (0.47) OPRK1EPHX1ALDH1A1EPHX2THRB
SCHEMBL5202228 0.74 THRB (0.54) OPRK1EPHX1ALDH1A1EPHX2THRB
SCHEMBL4114698 0.74 THRB (0.54) OPRK1EPHX1ALDH1A1EPHX2THRB

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-20090239929-A1 N-Pyrrolidin-3-YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1828119-A1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2007-09-05 EP disclosed
WO-2006064332-A1 N-PYRROLIDIN-3YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2006-06-22 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-20090239929-A1 N-Pyrrolidin-3-YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors TPH1, TPH2, HTR1A OPRK1 60/4885EPHX1 856/4885SIGMAR1 51/4885

“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.