SCHEMBL13712544

SCHEMBL13712544

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 5/20 0.50
KCNH2 Q12809 4/20 0.50
USP30 Q70CQ3 2/20 0.50
CYP2D6 P10635 2/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC6A3 Q01959 2/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
HSD11B1 P28845 1/20 0.43
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
GPR119 Q8TDV5 2/20 0.40

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
SCHEMBL13696790 0.93 SLC6A2 (0.59) SLC6A2SLC6A4KCNH2USP30CYP2D6
SCHEMBL13696789 0.90 SLC6A2 (0.57) SLC6A2SLC6A4KCNH2USP30CYP2D6
SCHEMBL13712542 0.89 USP30 (0.50) SLC6A2SLC6A4KCNH2USP30CYP2D6
SCHEMBL13712557 0.89 USP30 (0.50) SLC6A2SLC6A4KCNH2USP30CYP2D6
SCHEMBL13696796 0.89 USP30 (0.52) SLC6A2SLC6A4KCNH2USP30CYP2D6
SCHEMBL4508193 0.88 SLC6A2 (0.53) SLC6A2SLC6A4KCNH2CYP2D6MEN1
SCHEMBL13712531 0.88 USP30 (0.49) SLC6A2SLC6A4KCNH2USP30CYP2D6
SCHEMBL13696778 0.87 SLC6A2 (0.58) SLC6A2SLC6A4KCNH2USP30CYP2D6
SCHEMBL13712560 0.86 USP30 (0.49) SLC6A2SLC6A4KCNH2USP30CYP2D6
SCHEMBL13696797 0.83 CYP2D6 (0.55) SLC6A2SLC6A4KCNH2USP30CYP2D6

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 2 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
US-20090239929-A1 N-Pyrrolidin-3-YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US 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.