SCHEMBL4123313

SCHEMBL4123313

CC(C)CN(C(=O)c1cccnc1Oc1ccccc1)[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
KCNH2 Q12809 3/20 0.48
CYP2D6 P10635 1/20 0.48
TDP1 Q9NUW8 1/20 0.43
MAPK8 P45983 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
UGCG Q16739 2/20 0.41
SLC6A3 Q01959 1/20 0.40
CYP3A4 P08684 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
C5AR1 P21730 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
SCHEMBL13696799 0.90 USP30 (0.49) SLC6A2SLC6A4KCNH2CYP2D6TDP1
SCHEMBL4120622 0.85 SLC6A2 (0.66) SLC6A2SLC6A4KCNH2CYP2D6ALDH1A1
SCHEMBL13696812 0.81 SLC6A2 (0.74) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL4112677 0.81 SLC6A2 (0.74) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL4508193 0.77 SLC6A2 (0.53) SLC6A2SLC6A4KCNH2CYP2D6ALDH1A1
SCHEMBL5909239 0.76 POLB (0.52) TDP1MAPK8ALDH1A1POLBUGCG
SCHEMBL4282426 0.76 SLC6A2 (0.46) SLC6A2SLC6A4KCNH2CYP2D6ALDH1A1
SCHEMBL4635761 0.75 SLC6A2 (0.62) SLC6A2SLC6A4KCNH2CYP2D6SLC6A3
SCHEMBL13696790 0.75 SLC6A2 (0.59) SLC6A2SLC6A4KCNH2CYP2D6ALDH1A1
SCHEMBL4105025 0.74 SLC6A2 (0.64) SLC6A2SLC6A4KCNH2CYP2D6ALDH1A1

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 SLC6A2 5/4885SLC6A4 36/4885KCNH2 2694/4885

“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.