SCHEMBL4522030

SCHEMBL4522030

O=C(O)N1CC[C@H](N(C(=O)c2ccccc2C(F)(F)F)C2CC3CCC2C3)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
HTR2B P41595 1/20 0.41
MAPK14 Q16539 1/20 0.41
SMO Q99835 4/20 0.39
SLC6A3 Q01959 1/20 0.39
RBP4 P02753 5/20 0.38
CCR5 P51681 1/20 0.38
MGLL Q99685 1/20 0.37
CYP3A4 P08684 2/20 0.37
MCHR1 Q99705 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL13712534 0.87 USP30 (0.46)
SCHEMBL4513146 0.86 RAB9A (0.41) CYP2C19CYP2C9HTR2BMAPK14CCR5
SCHEMBL5887727 0.82 SLC6A2 (0.58) SLC6A2SLC6A4CYP2C19CYP2C9HTR2B
SCHEMBL5887953 0.81 SLC6A2 (0.57) SLC6A2SLC6A4CYP2C19CYP2C9HTR2B
SCHEMBL5888070 0.81 SLC6A2 (0.57) SLC6A2SLC6A4CYP2C19CYP2C9HTR2B
SCHEMBL4508049 0.78 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL4565161 0.74 HCRTR1 (0.38) MGLLMCHR1
SCHEMBL13712525 0.74 USP30 (0.47)
SCHEMBL5887756 0.72 SLC6A2 (0.62) SLC6A2SLC6A4CYP2C19CYP2C9HTR2B
SCHEMBL5887844 0.69 SLC6A2 (0.52) SLC6A2SLC6A4

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 SLC6A2 7/4885SLC6A4 13/4885CYP2C19 144/4885

“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.