SCHEMBL4635895

SCHEMBL4635895

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.43
MCHR1 Q99705 7/20 0.39
EPHX2 P34913 3/20 0.39
CYP2D6 P10635 1/20 0.37
KDM1A O60341 1/20 0.37
FUCA1 P04066 1/20 0.36
OPRL1 P41146 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 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
SCHEMBL6415568 1.00 EPHX1 (0.43) EPHX1MCHR1EPHX2CYP2D6KDM1A
SCHEMBL4635146 0.79 EPHX1 (0.45) EPHX1EPHX2KDM1A
SCHEMBL6419317 0.79 EPHX1 (0.45) EPHX1EPHX2KDM1A
SCHEMBL14450373 0.78 THRB (0.52)
SCHEMBL24033437 0.78 EPHX1 (0.49) EPHX1PARP1
SCHEMBL13638962 0.77 EPHX1 (0.47) EPHX1MCHR1EPHX2KDM1A
SCHEMBL13162268 0.77 EPHX1 (0.47) EPHX1MCHR1EPHX2KDM1A
SCHEMBL5013508 0.75 EPHX2 (0.47) EPHX1EPHX2OPRL1
Hydrochloric Acid SCHEMBL2772564 0.75 EPHX1 (0.46) EPHX1MCHR1EPHX2CYP2D6KDM1A
SCHEMBL6419218 0.74 EPHX1 (0.45) EPHX1MCHR1EPHX2CYP2D6KDM1A

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
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 EPHX1 259/4885MCHR1 194/4885EPHX2 549/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C EPHX1 124/4885MCHR1 253/4885EPHX2 263/4885

“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.