SCHEMBL5224399

SCHEMBL5224399

CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)c2ccccc2Cl)C2CCCCCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.52
GPR119 Q8TDV5 16/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL5200443 1.00 USP30 (0.52) USP30GPR119HPGDTSHRMEN1
SCHEMBL5229717 0.99 USP30 (0.53) USP30GPR119HPGDTSHRMEN1
SCHEMBL5888078 0.92 SLC6A2 (0.52) USP30GPR119MEN1KMT2A
SCHEMBL5200971 0.90 GPR119 (0.48) USP30GPR119MEN1KMT2A
SCHEMBL5887872 0.90 SLC6A2 (0.51) USP30GPR119MEN1KMT2A
SCHEMBL13696794 0.87 SLC6A2 (0.54) USP30GPR119
SCHEMBL5232636 0.87 USP30 (0.51) USP30GPR119MEN1KMT2A
SCHEMBL5888144 0.86 GPR119 (0.47) USP30GPR119MEN1KMT2A
SCHEMBL13696779 0.86 SLC6A2 (0.53) USP30GPR119
SCHEMBL5887844 0.86 SLC6A2 (0.52) USP30GPR119MEN1KMT2A

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 1902/4885GPR119 1434/4885HPGD 1601/4885

“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.