SCHEMBL2909934

SCHEMBL2909934

FC(F)(F)Oc1ccccc1CBr.[MgH2]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.43
DRD2 P14416 4/20 0.43
GRIN2B Q13224 2/20 0.42
GRIN1 Q05586 1/20 0.42
SLC6A2 P23975 6/20 0.42
SLC6A4 P31645 5/20 0.42
CYP2D6 P10635 3/20 0.41
KCNH2 Q12809 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDE9A O76083 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
KCNK3 O14649 3/20 0.38
KCNK9 Q9NPC2 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 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
SCHEMBL121522 0.98 SLC6A3 (0.43) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL29427096 0.98 SLC6A3 (0.43) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL23881813 0.86 SLC6A3 (0.48) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL8089375 0.81 KCNH2 (0.39) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL28193021 0.79 P2RX7 (0.40) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL2908194 0.78 SLC6A2 (0.44) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL7342115 0.78 GRIN2B (0.41) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL5535428 0.78 GRIN2B (0.43) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL3151346 0.78 GRIN2B (0.44) SLC6A3DRD2GRIN2BGRIN1SLC6A2
SCHEMBL2092982 0.78 GRIN2B (0.43) SLC6A3DRD2GRIN2BGRIN1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1878762-B Morpholine derivatives as norepinephrine reuptake inhibitors LILLY CO ELI 2010-10-27 CN disclosed
EP-2223916-A1 Morpholine derivatives as norepinephrine reuptake inhibitors Eli Lilly and Company (US) 2010-09-01 EP disclosed
EP-1682523-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2010-08-18 EP disclosed
US-7423037-B2 e.g. 1-[1,1'-biphenyl]-2-yl-2-morpholin-2-ylpropan-2-ol; antidepressant, anxiolytic agent, cognition activator ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
EP-1729754-B1 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES LILLY CO ELI (US) 2008-07-02 EP disclosed
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-12 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
CN-1889940-A Treatment of personality changes due to hot flashes, impulse control disorders and systemic medical conditions LILLY CO ELI (US) 2007-01-03 CN disclosed
EP-1729754-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2006-12-13 EP disclosed
CN-1878762-A Morpholine derivatives as norepinephrine reuptake inhibitors LILLY CO ELI (US) 2006-12-13 CN disclosed
EP-1682523-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-07-26 EP disclosed
WO-2005060949-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2005-07-07 WO disclosed
WO-2005047272-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-05-26 WO 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-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 SLC6A3 3/4885DRD2 38/4885GRIN2B 105/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A SLC6A3 4/4885DRD2 27/4885GRIN2B 1107/4885

“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.