SCHEMBL2909926

SCHEMBL2909926

OC(Cc1ccccc1Br)(C1CCOCC1)C1CN(Cc2ccccc2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.43
DRD4 P21917 6/20 0.41
SIGMAR1 Q99720 1/20 0.41
SLC6A2 P23975 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
CNR2 P34972 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC18A3 Q16572 2/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL13212422 0.89 BCHE (0.46) DRD4SIGMAR1DRD2DRD3ALDH1A1
SCHEMBL2904976 0.87 CNR2 (0.44) DRD4SLC6A2DRD2DRD3ALDH1A1
SCHEMBL5438416 0.85 DRD4 (0.46) DRD4DRD2DRD3ALDH1A1CNR2
SCHEMBL2908252 0.84 DRD4 (0.46) DRD4DRD2DRD3ALDH1A1CNR2
SCHEMBL2905850 0.82 CNR2 (0.46) DRD4SLC6A2DRD2DRD3CNR2
SCHEMBL13176342 0.82 BCHE (0.46) DRD4SIGMAR1DRD2DRD3ALDH1A1
SCHEMBL8293151 0.82 SLC6A2 (0.58) CYP2A13DRD4SIGMAR1SLC6A2DRD2
SCHEMBL14202970 0.82 SLC6A2 (0.58) CYP2A13DRD4SIGMAR1SLC6A2DRD2
SCHEMBL5045984 0.82 SLC6A2 (0.58) CYP2A13DRD4SIGMAR1SLC6A2DRD2
SCHEMBL14203051 0.82 SLC6A2 (0.58) CYP2A13DRD4SIGMAR1SLC6A2DRD2

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
EP-2223916-A1 Morpholine derivatives as norepinephrine reuptake inhibitors Eli Lilly and Company (US) 2010-09-01 EP 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
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
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
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-12 US disclosed
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-12 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 (1 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 CYP2A13 2058/4885DRD4 57/4885SIGMAR1 27/4885

“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.