SCHEMBL4117488

SCHEMBL4117488

CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.64
SLC6A4 P31645 16/20 0.64
SLC6A3 Q01959 14/20 0.64
CYP2D6 P10635 5/20 0.64
KCNH2 Q12809 4/20 0.64
CHRM4 P08173 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM5 P08912 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TRPM8 Q7Z2W7 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
SCHEMBL4111175 0.96 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4114669 0.90 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4122370 0.87 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL13696801 0.87 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4282426 0.85 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4116091 0.85 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4106291 0.83 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4121587 0.83 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL13696792 0.83 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5887756 0.81 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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.