SCHEMBL4123220

SCHEMBL4123220

O=C(O)N1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
UCHL1 P09936 5/20 0.44
USP30 Q70CQ3 5/20 0.44
CTSB P07858 3/20 0.44
CTSK P43235 3/20 0.44
CTSS P25774 2/20 0.44
CTSC P53634 2/20 0.44
CTSL P07711 1/20 0.44
F13A1 P00488 2/20 0.44

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
SCHEMBL29222155 1.00 CA1 (0.48) CA1CA2CA9MEN1POLB
SCHEMBL1865107 0.92 MEN1 (0.48) CA1CA2CA9MEN1POLB
SCHEMBL5888030 0.85 MEN1 (0.46) CA1CA2CA9MEN1POLB
SCHEMBL5888033 0.85 MEN1 (0.46) CA1CA2CA9MEN1POLB
SCHEMBL13696749 0.83 ALDH1A1 (0.53) MMP13USP30F13A1TGM2TGM1
SCHEMBL30099305 0.83 ALDH1A1 (0.53) MMP13USP30F13A1TGM2TGM1
SCHEMBL3810274 0.83 CTSL (0.47) CA1CA2CA9TDP1CTSB
SCHEMBL3811563 0.83 TDP1 (0.53) MEN1POLBKMT2ATDP1
SCHEMBL3808645 0.83 EPHX2 (0.49) MEN1KMT2ATDP1USP30EPHX2
SCHEMBL3811569 0.83 TDP1 (0.53) MEN1POLBKMT2ATDP1

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 CA1 4126/4885CA2 3051/4885CA9 4341/4885

“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.