SCHEMBL13712531

SCHEMBL13712531

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.49
SLC6A2 P23975 7/20 0.46
SLC6A4 P31645 7/20 0.46
KCNH2 Q12809 6/20 0.46
SLC6A3 Q01959 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2D6 P10635 4/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
HSD11B1 P28845 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
TACR1 P25103 1/20 0.40
HCRTR1 O43613 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
SCHEMBL13712542 0.91 USP30 (0.50) USP30SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL13696796 0.91 USP30 (0.52) USP30SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL13712557 0.89 USP30 (0.50) USP30SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL4518497 0.89 SLC6A2 (0.48) SLC6A2SLC6A4KCNH2SLC6A3MEN1
SCHEMBL13712560 0.89 USP30 (0.49) USP30SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL13696789 0.88 SLC6A2 (0.57) USP30SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL13712544 0.88 SLC6A2 (0.50) USP30SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL13696778 0.86 SLC6A2 (0.58) USP30SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL13696790 0.86 SLC6A2 (0.59) USP30SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL13696795 0.84 USP30 (0.49) USP30SLC6A2SLC6A4KCNH2SLC6A3

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 USP30 4242/4885SLC6A2 7/4885SLC6A4 13/4885

“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.