SCHEMBL4634797

SCHEMBL4634797

O=C(c1ccc(Cl)cc1)N(Cc1cccc(Cl)c1Cl)[C@@H]1CCN(C(=O)C(F)(F)F)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.44
SLC6A4 P31645 5/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.42
AGER Q15109 1/20 0.41
MCHR1 Q99705 3/20 0.41
REN P00797 2/20 0.41
MGLL Q99685 4/20 0.40
PGR P06401 1/20 0.39
CYP2C9 P11712 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL4635081 0.82 PDK2 (0.45) PDK2KCNH2AGERMCHR1
SCHEMBL4635189 0.74 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL4634799 0.74 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL5511565 0.72 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL4635881 0.71 TEAD1 (0.45)
SCHEMBL6414218 0.71 CHRM2 (0.47) SLC6A4KCNH2AGER
SCHEMBL25265564 0.69 GHSR (0.53) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL25194484 0.69 GHSR (0.53) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL4478808 0.67 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL6431531 0.66 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PDK2 2037/4885SLC6A4 193/4885SLC6A2 117/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C PDK2 3129/4885SLC6A4 93/4885SLC6A2 51/4885

“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.