SCHEMBL4121587

SCHEMBL4121587

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 4/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MITF O75030 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL4106291 0.96 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4112308 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2MEN1
SCHEMBL4111175 0.85 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4282426 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL13696803 0.84 USP30 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4117488 0.83 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5888071 0.80 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNH2CCR5
SCHEMBL4116091 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5888056 0.79 KCNH2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2LMNA
SCHEMBL4109440 0.79 SLC6A2 (0.70) 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 3 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
EP-1828121-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2007-09-05 EP disclosed
WO-2006064336-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2006-06-22 WO 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.