SCHEMBL5227942

SCHEMBL5227942

CN(C1CCC1)[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL3 Q96JM7 2/20 0.39
MEN1 O00255 1/20 0.38
MCHR1 Q99705 3/20 0.38
ATM Q13315 1/20 0.36
CCR2 P41597 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR5 P51681 2/20 0.34
MAPT P10636 1/20 0.34
KDM1A O60341 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34

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
SCHEMBL28735742 0.94 MCHR1 (0.41) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL3
SCHEMBL4114791 0.94 MCHR1 (0.41) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL3
SCHEMBL6435389 0.90 KMT2A (0.43) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL3
SCHEMBL6418241 0.89 KMT2A (0.45) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL3
SCHEMBL27564719 0.87 ALDH1A1 (0.44) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL3
SCHEMBL6414922 0.84 L3MBTL3 (0.43) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL3
SCHEMBL21464535 0.82 L3MBTL3 (0.50) L3MBTL3MCHR1L3MBTL1KDM1AMAOA
SCHEMBL2883536 0.82 L3MBTL3 (0.50) L3MBTL3MCHR1L3MBTL1KDM1AMAOA
SCHEMBL2883532 0.82 L3MBTL3 (0.50) L3MBTL3MCHR1L3MBTL1KDM1AMAOA
SCHEMBL4489462 0.82 MCHR1 (0.43) KMT2AL3MBTL3MEN1MCHR1CCR2

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 KMT2A 3211/4885ALDH1A1 461/4885LMNA 3015/4885

“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.