SCHEMBL4114791

SCHEMBL4114791

CN(C1CC1)[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
CCR2 P41597 1/20 0.38
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR5 P51681 2/20 0.35
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
USP30 Q70CQ3 1/20 0.34
MEN1 O00255 1/20 0.33
CHRM4 P08173 1/20 0.33

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 1.00 MCHR1 (0.41) MCHR1L3MBTL3CCR2KMT2AALDH1A1
SCHEMBL5227942 0.94 KMT2A (0.40) MCHR1L3MBTL3CCR2KMT2AALDH1A1
SCHEMBL6414922 0.90 L3MBTL3 (0.43) MCHR1L3MBTL3CCR2KMT2AALDH1A1
SCHEMBL2883536 0.84 L3MBTL3 (0.50) MCHR1L3MBTL3KDM1AMAOAMAOB
SCHEMBL2883532 0.84 L3MBTL3 (0.50) MCHR1L3MBTL3KDM1AMAOAMAOB
SCHEMBL21464535 0.84 L3MBTL3 (0.50) MCHR1L3MBTL3KDM1AMAOAMAOB
SCHEMBL6435389 0.84 KMT2A (0.43) L3MBTL3KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4489462 0.83 MCHR1 (0.43) MCHR1L3MBTL3CCR2KMT2AKDM1A
SCHEMBL6418241 0.82 KMT2A (0.45) L3MBTL3KMT2AALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3404368 0.82 L3MBTL3 (0.49) MCHR1L3MBTL3KDM1AMAOAMAOB

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 7 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
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-2006064336-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2006-06-22 WO 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 (2 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 MCHR1 232/4885L3MBTL3 1071/4885CCR2 555/4885
US-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors AOC3, AOC2, TPH2 MCHR1 596/4885L3MBTL3 1458/4885CCR2 386/4885

“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.