SCHEMBL5202228

SCHEMBL5202228

O=C(O)N1CC[C@H](NC2CCCCCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
EPHX2 P34913 6/20 0.46
EPHX1 P07099 2/20 0.46
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 2/20 0.42
OPRK1 P41145 2/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 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
SCHEMBL4114698 1.00 THRB (0.54) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL671290 0.98 THRB (0.51) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL4112587 0.98 THRB (0.51) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL4122335 0.94 THRB (0.47) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL3487604 0.93 HTT (0.47) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL28779681 0.93 HTT (0.47) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL5116850 0.91 HTT (0.44) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL5120727 0.91 HTT (0.44) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL29134343 0.90 THRB (0.42) THRBATML3MBTL1EPHX2EPHX1
SCHEMBL5196778 0.90 THRB (0.59) THRBATML3MBTL1EPHX2EPHX1

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 THRB 1954/4885ATM 4589/4885L3MBTL1 2895/4885

“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.