SCHEMBL4635146

SCHEMBL4635146

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.45
OPRK1 P41145 2/20 0.41
EPHX2 P34913 6/20 0.40
KDM1A O60341 1/20 0.39
HSD11B1 P28845 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TEAD1 P28347 2/20 0.36
KDM5A P29375 1/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL6419317 1.00 EPHX1 (0.45) EPHX1OPRK1EPHX2KDM1AHSD11B1
SCHEMBL6419218 0.83 EPHX1 (0.45) EPHX1EPHX2KDM1ATEAD1KDM5A
SCHEMBL4109487 0.81 OPRK1 (0.44) EPHX1OPRK1EPHX2HSD11B1SMN1; SMN2
SCHEMBL21290467 0.81 OPRK1 (0.47) EPHX1OPRK1EPHX2HSD11B1SMN1; SMN2
SCHEMBL21870612 0.81 OPRK1 (0.47) EPHX1OPRK1EPHX2HSD11B1SMN1; SMN2
SCHEMBL14159357 0.80 OPRK1 (0.41) OPRK1EPHX2HSD11B1SMN1; SMN2DPP8
SCHEMBL14453881 0.80 OPRK1 (0.43) OPRK1EPHX2HSD11B1SMN1; SMN2DPP8
SCHEMBL6415568 0.79 EPHX1 (0.43) EPHX1EPHX2KDM1A
SCHEMBL4635895 0.79 EPHX1 (0.43) EPHX1EPHX2KDM1A
SCHEMBL13162268 0.79 EPHX1 (0.47) EPHX1EPHX2KDM1A

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 9 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
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 259/4885OPRK1 27/4885EPHX2 549/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C EPHX1 124/4885OPRK1 13/4885EPHX2 263/4885
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A EPHX1 1834/4885OPRK1 135/4885EPHX2 1291/4885

“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.