SCHEMBL4634407

SCHEMBL4634407

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.49
EPHX2 P34913 5/20 0.47
KDM1A O60341 1/20 0.45
CYP2C19 P33261 1/20 0.37
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM5A P29375 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HSD11B1 P28845 3/20 0.34
CYP2C9 P11712 1/20 0.34
RIPK1 Q13546 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
SCHEMBL4131627 0.89 EPHX1 (0.59) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL2807429 0.86 EPHX1 (0.49) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL2807431 0.86 EPHX1 (0.49) EPHX1EPHX2KDM1ACYP2C19PARP1
Acetic Acid SCHEMBL2808744 0.84 EPHX1 (0.45) EPHX1EPHX2KDM1AALDH1A1KDM5A
Acetic Acid SCHEMBL2808743 0.84 EPHX1 (0.45) EPHX1EPHX2KDM1AALDH1A1KDM5A
SCHEMBL2828768 0.81 EPHX1 (0.45) EPHX1EPHX2KDM1ACYP2C19PARP1
SCHEMBL13638962 0.81 EPHX1 (0.47) EPHX1EPHX2KDM1ACYP2C19ALDH1A1
SCHEMBL13162268 0.81 EPHX1 (0.47) EPHX1EPHX2KDM1ACYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL2772564 0.79 EPHX1 (0.46) EPHX1EPHX2KDM1ACYP2C19ALDH1A1
SCHEMBL13999540 0.79 HSD11B1 (0.57) EPHX1PARP1HSD11B1CYP2C9

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-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-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
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 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 (3 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 EPHX1 259/4885EPHX2 549/4885KDM1A 2249/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C EPHX1 124/4885EPHX2 263/4885KDM1A 2709/4885
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A EPHX1 1834/4885EPHX2 1291/4885KDM1A 3725/4885

“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.