SCHEMBL977557

SCHEMBL977557

c1ccc(C2COCCN2c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.54
PIK3C3 Q8NEB9 8/20 0.52
NUDT1 P36639 1/20 0.50
LMNA P02545 1/20 0.46
HDAC6 Q9UBN7 3/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC1 Q13547 1/20 0.44
TNKS2 Q9H2K2 1/20 0.41
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL27331726 1.00 NR3C2 (0.54) NR3C2PIK3C3NUDT1LMNAHDAC6
SCHEMBL27331723 1.00 NR3C2 (0.54) NR3C2PIK3C3NUDT1LMNAHDAC6
SCHEMBL976308 0.78 PIK3C3 (0.47) NR3C2PIK3C3NUDT1LMNATNKS2
SCHEMBL350408 0.76 NUDT1 (0.42) NR3C2PIK3C3NUDT1LMNAHDAC6
SCHEMBL137068 0.76 LMNA (0.47) NR3C2PIK3C3LMNAMAPTNPSR1
SCHEMBL6536162 0.76 LMNA (0.47) NR3C2PIK3C3LMNAMAPTNPSR1
SCHEMBL18713207 0.76 NUDT1 (0.42) NR3C2PIK3C3NUDT1LMNAHDAC6
SCHEMBL16130585 0.76 CHRNB2 (0.55) NR3C2PIK3C3NUDT1LMNA
SCHEMBL31051684 0.76 LMNA (0.47) NR3C2PIK3C3LMNAMAPTNPSR1
SCHEMBL31051683 0.76 LMNA (0.47) NR3C2PIK3C3LMNAMAPTNPSR1

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-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
US-7595315-B2 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO 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
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 (3 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 NR3C2 321/4885PIK3C3 4284/4885NUDT1 1096/4885
US-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 NR3C2 470/4885PIK3C3 2422/4885NUDT1 714/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 NR3C2 321/4885PIK3C3 4284/4885NUDT1 1096/4885

“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.