SCHEMBL2908416

SCHEMBL2908416

CCOc1ccccc1CCl.[MgH2]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.58
MAPT P10636 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 4/20 0.50
ATM Q13315 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
PLEC Q15149 1/20 0.47
MAPK1 P28482 1/20 0.46
GLA P06280 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A2 P23975 1/20 0.41

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
SCHEMBL3149687 0.98 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL7562011 0.82 MAPT (0.52) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL11717626 0.82 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL31054 0.80 L3MBTL1 (0.84) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL5254664 0.80 L3MBTL1 (0.64) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL17420797 0.80 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL6427364 0.80 CYP1A2 (0.56) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL3146359 0.80 SLC6A4 (0.67) L3MBTL1MAPTTDP1MEN1GAA
SCHEMBL2903189 0.79 L3MBTL1 (0.58) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL4075277 0.79 L3MBTL1 (0.58) L3MBTL1MAPTNPSR1ALDH1A1ATM

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 10 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-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
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
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 L3MBTL1 3071/4885MAPT 169/4885NPSR1 91/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A L3MBTL1 3499/4885MAPT 1246/4885NPSR1 82/4885

“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.