SCHEMBL5201833

SCHEMBL5201833

CC1(CN(C(=O)c2cccc(Cl)c2Cl)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.45
STS P08842 1/20 0.44
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 7/20 0.43
KCNH2 Q12809 3/20 0.43
IL1B P01584 2/20 0.43
P2RX7 Q99572 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
OPRK1 P41145 1/20 0.39
NR1D1 P20393 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
SCHEMBL5888071 0.87 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNH2P2RX7
SCHEMBL5266108 0.86 USP30 (0.47) USP30STSSLC6A2SLC6A4SLC6A3
SCHEMBL13915531 0.85 SLC6A2 (0.56) USP30STSSLC6A2SLC6A4SLC6A3
SCHEMBL5263945 0.84 USP30 (0.46) USP30STSSLC6A2SLC6A4SLC6A3
SCHEMBL13712545 0.84 SLC6A2 (0.48) USP30STSSLC6A2SLC6A4SLC6A3
SCHEMBL13696802 0.82 USP30 (0.46) USP30SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5887872 0.81 SLC6A2 (0.51) USP30STSSLC6A2SLC6A4SLC6A3
SCHEMBL13696800 0.80 USP30 (0.46) USP30SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL5888078 0.79 SLC6A2 (0.52) USP30STSSLC6A2SLC6A4SLC6A3
SCHEMBL13696803 0.79 USP30 (0.44) USP30SLC6A2SLC6A4SLC6A3KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817281-A1 N- [(3S)- PYRROLIDIN-3-YL]- BENZAMIDE DERIVATIVES AS MONOAMINE RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2007-08-15 EP disclosed
US-7122683-B2 Amides useful as monoamine re-uptake inhibitors PFIZER INC. (US) 2006-10-17 US disclosed
WO-2006056884-A1 N- [ (3S)- PYRROLIDIN-3-YL]- BENZAMIDE DERIVATIVES AS MONOAMINE RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2006-06-01 WO disclosed
US-20060111429-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting PFIZER INC 2006-05-25 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-20060111429-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting ADRB3, AOC3, HRH4 USP30 1902/4885STS 1305/4885SLC6A2 33/4885

“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.