SCHEMBL4117275

SCHEMBL4117275

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 10/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2D6 P10635 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CYP3A4 P08684 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL1624691 0.93 KDM5A (0.52) KDM5AALDH1A1
SCHEMBL21393159 0.81 CYP2D6 (0.48) KDM5AALDH1A1CYP2D6HRH3CYP3A4
SCHEMBL4779124 0.79 ALDH1A1 (0.54) ALDH1A1CYP3A4RAB9ATSHRL3MBTL1
SCHEMBL2146121 0.79 EPHX2 (0.58) ALDH1A1L3MBTL1EPHX2
SCHEMBL4270527 0.79 MAPK1 (0.53) ALDH1A1L3MBTL1EPHX2
SCHEMBL28586012 0.79 MAPK1 (0.53) ALDH1A1L3MBTL1EPHX2
SCHEMBL3756652 0.79 MAPK1 (0.53) ALDH1A1L3MBTL1EPHX2
SCHEMBL1437945 0.79 EPHX2 (0.61) ALDH1A1L3MBTL1EPHX2
SCHEMBL13696758 0.79 EPHX1 (0.58) KDM5AALDH1A1EPHX2
SCHEMBL16992397 0.78 MAPK1 (0.55) ALDH1A1CYP2D6HRH3L3MBTL1EPHX2

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 5 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
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
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 KDM5A 2708/4885ALDH1A1 461/4885CYP2D6 483/4885
US-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors AOC3, AOC2, TPH2 KDM5A 4608/4885ALDH1A1 730/4885CYP2D6 175/4885

“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.