SCHEMBL4110326

SCHEMBL4110326

O=CN[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.43
ADH1A P07327 4/20 0.43
ADH1C P00326 3/20 0.40
ADH7 P40394 2/20 0.40
ADH4 P08319 1/20 0.39
EPHX1 P07099 2/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 6/20 0.33
ALDH1A1 P00352 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
SCHEMBL6247547 0.88 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL13451631 0.83 TEAD1 (0.33) EPHX1EPHX2
SCHEMBL771167 0.83 EPHX2 (0.46) ADH1BADH1AADH1CADH7ADH4
SCHEMBL772153 0.80 EPHX1 (0.41) ADH1BADH1AADH1CADH7ADH4
SCHEMBL29134343 0.80 THRB (0.42) EPHX1THRBATML3MBTL1EPHX2
SCHEMBL29134344 0.80 THRB (0.42) EPHX1THRBATML3MBTL1EPHX2
SCHEMBL7560672 0.79 ADH1B (0.42) ADH1BADH1AADH1CADH7ADH4
SCHEMBL671290 0.77 THRB (0.51) EPHX1THRBATML3MBTL1EPHX2
SCHEMBL4122335 0.77 THRB (0.47) EPHX1THRBATML3MBTL1EPHX2
SCHEMBL4112587 0.77 THRB (0.51) EPHX1THRBATML3MBTL1EPHX2

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-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1828121-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2007-09-05 EP disclosed
WO-2006064336-A2 N-PYRROLIDIN-3-YL-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-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors AOC3, AOC2, TPH2 ADH1B 1487/4885ADH1A 548/4885ADH1C 327/4885

“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.