SCHEMBL4634597

SCHEMBL4634597

O=C(c1ccccc1)N(Cc1cccc2c1CCCC2)C1CCNC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.59
SLC6A4 P31645 14/20 0.59
SLC6A3 Q01959 9/20 0.50
MBTPS1 Q14703 5/20 0.50
CYP2D6 P10635 4/20 0.47
KCNH2 Q12809 2/20 0.47
CHRM3 P20309 1/20 0.46
F10 P00742 1/20 0.46
PLAU P00749 1/20 0.46

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
SCHEMBL4634033 0.74 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MBTPS1CYP2D6
SCHEMBL4634063 0.73 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4634488 0.73 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4634693 0.73 SLC6A4 (0.73) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4635077 0.73 SLC6A4 (0.73) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4635189 0.72 SLC6A4 (0.69) SLC6A2SLC6A4SLC6A3MBTPS1CYP2D6
Hydrochloric Acid SCHEMBL4634799 0.71 SLC6A4 (0.68) SLC6A2SLC6A4SLC6A3MBTPS1CYP2D6
SCHEMBL4634450 0.71 DCUN1D1 (0.58) SLC6A2SLC6A4SLC6A3MBTPS1KCNH2
SCHEMBL18342235 0.68 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL476886 0.68 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638933-B1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2008-06-11 EP claimed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US claimed
EP-1638933-A1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER INC. (US) 2006-03-29 EP claimed
US-20050137229-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 2005-06-23 US claimed
WO-2004110995-A1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2004-12-23 WO claimed
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
EP-1638933-B1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2008-06-11 EP disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US disclosed
EP-1638933-A1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER INC. (US) 2006-03-29 EP disclosed
US-20050137229-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 2005-06-23 US disclosed
WO-2004110995-A1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2004-12-23 WO 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-20050137229-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 AOC3, ADRB3, HTR3C SLC6A2 117/4885SLC6A4 193/4885SLC6A3 115/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C SLC6A2 51/4885SLC6A4 93/4885SLC6A3 74/4885

“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.