SCHEMBL4120924

SCHEMBL4120924

CSc1ccccc1C(=O)N(C1CCCCC1)[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.60
SLC6A4 P31645 8/20 0.60
SLC6A3 Q01959 6/20 0.60
KCNH2 Q12809 1/20 0.60
HTT P42858 1/20 0.48
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 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
SCHEMBL4127655 0.99 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2HTT
SCHEMBL4116091 0.88 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2HTT
SCHEMBL13696794 0.85 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL13696779 0.84 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5887986 0.84 HPGD (0.54) SLC6A2SLC6A4SLC6A3KCNH2GAA
SCHEMBL5888222 0.84 HPGD (0.54) SLC6A2SLC6A4SLC6A3KCNH2GAA
SCHEMBL4114669 0.83 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KCNH2HTT
SCHEMBL5888140 0.82 HPGD (0.52) SLC6A2SLC6A4SLC6A3KCNH2GAA
SCHEMBL5888070 0.82 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5887953 0.82 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3KCNH2

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 1 patent. 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

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 SLC6A2 5/4885SLC6A4 36/4885SLC6A3 46/4885

“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.