SCHEMBL4511655

SCHEMBL4511655

O=C(O)N1CC[C@H](N(CC(F)(F)F)C(=O)c2ccccc2Oc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.48
SLC6A4 P31645 8/20 0.48
KCNH2 Q12809 6/20 0.48
SLC6A3 Q01959 4/20 0.48
CYP2D6 P10635 4/20 0.46
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HCRTR1 O43613 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
UBE2M P61081 1/20 0.39

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
SCHEMBL4509151 0.92 SLC6A2 (0.48) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL4518497 0.90 SLC6A2 (0.48) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL13712542 0.89 USP30 (0.50) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL4508193 0.87 SLC6A2 (0.53) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL4105025 0.86 SLC6A2 (0.64) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL4109470 0.85 SLC6A2 (0.54) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL4111248 0.84 SLC6A2 (0.65) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL4120622 0.84 SLC6A2 (0.66) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL4527864 0.83 SLC6A2 (0.49) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL13712557 0.83 USP30 (0.50) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6

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 13/4885KCNH2 1886/4885

“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.