SCHEMBL2904522

SCHEMBL2904522

COc1ccc(F)cc1C[Mg]Br

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.44
SLC6A4 P31645 15/20 0.44
SLC6A3 Q01959 15/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL2904501 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL1663130 0.80 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL30200200 0.80 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL4625651 0.79 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL2904519 0.78 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL30785121 0.78 KDM4E (0.53) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL1093645 0.78 IDO1 (0.53) ALDH1A1KDM4E
SCHEMBL321697 0.78 KDM4E (0.53) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL31737743 0.78 IDO1 (0.53) ALDH1A1KDM4E
SCHEMBL2908313 0.76 PDE4A (0.50) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1

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 SLC6A2 1/4885SLC6A4 4/4885SLC6A3 3/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A SLC6A2 1/4885SLC6A4 2/4885SLC6A3 4/4885

“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.