SCHEMBL13712545

SCHEMBL13712545

CC(C)(C)OC(=O)N1CC[C@H](N(CCC(F)(F)F)C(=O)c2cccc(Cl)c2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.48
SLC6A4 P31645 7/20 0.48
SLC6A3 Q01959 7/20 0.48
KCNH2 Q12809 3/20 0.46
USP30 Q70CQ3 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
STS P08842 1/20 0.42
OPRK1 P41145 1/20 0.41
P2RX7 Q99572 2/20 0.41
IL1B P01584 1/20 0.41
HSD11B1 P28845 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
NR1D1 P20393 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
SCHEMBL4512920 0.87 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL5266108 0.86 USP30 (0.47) SLC6A2SLC6A4SLC6A3KCNH2USP30
SCHEMBL13915531 0.85 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KCNH2USP30
SCHEMBL5263945 0.84 USP30 (0.46) SLC6A2SLC6A4SLC6A3KCNH2USP30
SCHEMBL5201833 0.84 USP30 (0.45) SLC6A2SLC6A4SLC6A3KCNH2USP30
SCHEMBL13712531 0.82 USP30 (0.49) SLC6A2SLC6A4SLC6A3KCNH2USP30
SCHEMBL5887872 0.81 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2USP30
SCHEMBL5888078 0.79 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2USP30
SCHEMBL13712526 0.79 JAK2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2USP30
SCHEMBL13712551 0.79 USP30 (0.47) SLC6A2SLC6A4SLC6A3KCNH2USP30

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 13/4885SLC6A3 150/4885

“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.