SCHEMBL4634063

SCHEMBL4634063

O=C(c1ccccc1)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.75
SLC6A2 P23975 19/20 0.75
KCNH2 Q12809 7/20 0.75
SLC6A3 Q01959 15/20 0.73

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
SCHEMBL4634488 1.00 SLC6A4 (0.75) SLC6A4SLC6A2KCNH2SLC6A3
Hydrochloric Acid SCHEMBL4635077 0.99 SLC6A4 (0.73) SLC6A4SLC6A2KCNH2SLC6A3
Hydrochloric Acid SCHEMBL4634693 0.99 SLC6A4 (0.73) SLC6A4SLC6A2KCNH2SLC6A3
Oxalic Acid SCHEMBL6416046 0.86 SLC6A4 (0.68) SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL4634450 0.81 DCUN1D1 (0.58) SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL476885 0.77 SLC6A2 (0.60) SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL18342235 0.77 SLC6A2 (0.60) SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL476886 0.77 SLC6A2 (0.60) SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL4634785 0.76 SLC6A2 (0.62) SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL6416013 0.76 SLC6A4 (1.00) SLC6A4SLC6A2KCNH2SLC6A3

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 12 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
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
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
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
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
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US 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

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 SLC6A4 193/4885SLC6A2 117/4885KCNH2 934/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C SLC6A4 93/4885SLC6A2 51/4885KCNH2 1962/4885

“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.