SCHEMBL13696802

SCHEMBL13696802

CCSc1ccccc1C(=O)N(CC1(C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.46
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
HSD11B1 P28845 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GPR119 Q8TDV5 9/20 0.38

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
SCHEMBL13696803 0.97 USP30 (0.44) USP30JAK2JAK1CYP2D6SLC6A2
SCHEMBL13696800 0.88 USP30 (0.46) USP30JAK2JAK1SLC6A2SLC6A4
SCHEMBL4121587 0.87 SLC6A2 (0.44) USP30CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL13696792 0.86 SLC6A2 (0.53) USP30JAK2JAK1CYP2D6SLC6A2
SCHEMBL13696791 0.86 USP30 (0.47) USP30JAK2JAK1CYP2D6SLC6A2
SCHEMBL13696801 0.85 SLC6A2 (0.58) USP30JAK2JAK1CYP2D6SLC6A2
SCHEMBL4106291 0.84 SLC6A2 (0.45) USP30CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5201833 0.82 USP30 (0.45) USP30JAK2JAK1SLC6A2SLC6A4
SCHEMBL13696806 0.82 USP30 (0.48) USP30SLC6A2SLC6A4SLC6A3GPR119
SCHEMBL13696774 0.76 SLC6A2 (0.57) USP30JAK2JAK1CYP2D6SLC6A2

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-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US disclosed
US-20090239928-A1 N-Pyrrolidin-3YL-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-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors AOC3, AOC2, TPH2 USP30 3226/4885JAK2 3470/4885JAK1 4183/4885

“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.