SCHEMBL1058840

SCHEMBL1058840

CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 1.00
ADORA2A P29274 2/20 0.85

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
SCHEMBL1056690 0.91 ADORA1 (1.00) ADORA1ADORA2A
SCHEMBL1060059 0.90 ADORA1 (1.00) ADORA1ADORA2A
SCHEMBL1057373 0.89 ADORA1 (0.90) ADORA1ADORA2A
SCHEMBL5927880 0.88 ADORA1 (0.82) ADORA1ADORA2A
SCHEMBL1056023 0.88 ADORA1 (0.85) ADORA1ADORA2A
SCHEMBL1058800 0.87 ADORA1 (0.79) ADORA1ADORA2A
SCHEMBL1053438 0.86 ADORA1 (0.77) ADORA1ADORA2A
SCHEMBL2905025 0.86 ADORA1 (0.75) ADORA1ADORA2A
SCHEMBL1059123 0.85 ADORA1 (1.00) ADORA1ADORA2A
SCHEMBL1364930 0.83 ADORA1 (0.72) ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2010-08-12 US claimed
EP-1982704-B1 New molecular target of neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2010-08-04 EP claimed
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies EXONHIT THERAPEUTICS SA (FR) 2006-10-26 US claimed
US-20050043319-A1 Detecting neuronal stress via monitoring in vitro expression of phosphodiesterases; diagnosis, prevention and treatment of amyotrophic lateral sclerosis and other neurodegenerative diseases; drug screening EXONHIT THERAPEUTICS SA (FR) 2005-02-24 US claimed
US-20040219552-A1 Novel molecular target for neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2004-11-04 US claimed
US-20120202846-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2012-08-09 US disclosed
US-7872015-B2 Methods involving PDE4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies EXONHIT THERAPEUTICS SA (FR) 2011-01-18 US disclosed
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2010-08-12 US disclosed
US-20090317842-A1 Methods and Tools for The Therapy of Neurodegenerative Pathologies EXONHIT THERAPEUTICS SA (FR) 2009-12-24 US disclosed
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies EXONHIT THERAPEUTICS SA (FR) 2006-10-26 US disclosed
US-20050043319-A1 Detecting neuronal stress via monitoring in vitro expression of phosphodiesterases; diagnosis, prevention and treatment of amyotrophic lateral sclerosis and other neurodegenerative diseases; drug screening EXONHIT THERAPEUTICS SA (FR) 2005-02-24 US disclosed
US-20040219552-A1 Novel molecular target for neurotoxicity EXONHIT THERAPEUTICS SA (FR) 2004-11-04 US 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 (5 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-20050043319-A1 Detecting neuronal stress via monitoring in vitro expression of phosphodiesterases; diagnosis, prevention and treatment of amyotrophic lateral sclerosis and other neurodegenerative diseases; drug screening PDE4B, PDE4A, PDE4D ADORA1 2323/4885ADORA2A 1470/4885
US-20090317842-A1 Methods and Tools for The Therapy of Neurodegenerative Pathologies SNCA, BACE1, BDNF ADORA1 1594/4885ADORA2A 1310/4885
US-20120202846-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A ADORA1 3449/4885ADORA2A 2545/4885
US-20060241062-A1 Method involving pde4, compositions, and the screening thereof, for the treatment of degenerative ocular pathologies PDE4B, PDE4A, GABRA4 ADORA1 427/4885ADORA2A 424/4885
US-20100204251-A1 MOLECULAR TARGET OF NEUROTOXICITY PDE4B, TDP2, PDE4A ADORA1 3449/4885ADORA2A 2545/4885

“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.