SCHEMBL3737262

SCHEMBL3737262

Nc1nn(-c2ccccc2F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.55
ADORA3 P0DMS8 3/20 0.46
NOTUM Q6P988 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MGLL Q99685 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNN4 O15554 1/20 0.36
GRM4 Q14833 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36

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
SCHEMBL3747570 0.84 ADORA1 (0.51) ADORA1ADORA3NOTUMMEN1KMT2A
SCHEMBL13078708 0.77 ADORA1 (0.51) ADORA1ADORA3NOTUMMEN1KMT2A
SCHEMBL4455302 0.75 ADORA1 (0.47) ADORA1ADORA3NOTUMKMT2ARAB9A
SCHEMBL4717016 0.74 ADORA3 (0.47) ADORA1ADORA3NPC1PDE10AADORA2A
SCHEMBL4052360 0.74 HDAC1 (0.46) ADORA1ADORA3MEN1KMT2API4KA
SCHEMBL29572416 0.73 MEN1 (0.49) ADORA1ADORA3NOTUMMEN1KMT2A
SCHEMBL403403 0.73 MEN1 (0.49) ADORA1ADORA3NOTUMMEN1KMT2A
SCHEMBL13045875 0.73 ADORA1 (0.44) ADORA1ADORA3NOTUMMEN1KMT2A
SCHEMBL8237752 0.72 ADORA1 (0.41) ADORA1ADORA3KMT2API4KBALDH1A1
SCHEMBL3626706 0.72 MAPT (0.50) ADORA1ADORA3NOTUMMEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders BENTLEY JONATHAN 2010-11-11 US disclosed
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders BENTLEY JONATHAN 2010-11-11 US disclosed
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders BENTLEY JONATHAN 2010-11-11 US disclosed
EP-2118097-A1 1-OXA-3-AZASPIRO[4,5]DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
US-20090042897-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2009-02-12 US disclosed
US-20090042897-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2009-02-12 US disclosed
US-20090042897-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2009-02-12 US disclosed
WO-2008092891-A1 1-OXA-3-AZASPIRO(4.5)DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2008092891-A1 1-OXA-3-AZASPIRO(4.5)DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2008092888-A1 1-OXA-3-AZASPIRO[4,5]DECAN--2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2008092888-A1 1-OXA-3-AZASPIRO[4,5]DECAN--2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 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-20090042897-A1 Chemical Compounds NPY5R, NPY1R, NPY2R ADORA1 1402/4885ADORA3 843/4885NOTUM 1000/4885
US-20100286151-A1 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders NPY5R, NPY1R, NPY4R ADORA1 1011/4885ADORA3 764/4885NOTUM 963/4885

“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.