SCHEMBL4076312

SCHEMBL4076312

O=C(OCc1ccccc1)N1CCOC(C(Cc2ccccc2)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GRIN2B Q13224 1/20 0.46
CYP2C19 P33261 1/20 0.46
AGTR2 P50052 3/20 0.41
ACE2 Q9BYF1 1/20 0.41
CTSK P43235 3/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
PREP P48147 1/20 0.41
PDE4B Q07343 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL4482591 0.86 MEN1 (0.45) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL16985373 0.84 MEN1 (0.59) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL21851526 0.84 MEN1 (0.59) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL16985348 0.84 MEN1 (0.59) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL7542966 0.83 MEN1 (0.57) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL7544885 0.82 MEN1 (0.56) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL18259585 0.80 KMT2A (0.54) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL18259584 0.80 KMT2A (0.54) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL28731650 0.77 MEN1 (0.63) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL28366638 0.77 MEN1 (0.63) KMT2AMEN1NPSR1SMN1; SMN2NPC1

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
US-7595315-B2 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595315-B2 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595315-B2 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
EP-1716126-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2009-02-25 EP disclosed
EP-1716126-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2009-02-25 EP disclosed
US-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2007-03-15 US disclosed
US-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2007-03-15 US disclosed
US-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2007-03-15 US disclosed
EP-1716126-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-02 EP disclosed
WO-2005066144-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-07-21 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 (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-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 KMT2A 3263/4885MEN1 414/4885NPSR1 85/4885

“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.