SCHEMBL2854460

SCHEMBL2854460

CC(C)(C)OC(=O)N1CC(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccn2)C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.60
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.40
USP30 Q70CQ3 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ATM Q13315 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
SCHEMBL2856066 0.86 SLC6A9 (0.56) SLC6A9KMT2AUSP30POLBMEN1
SCHEMBL13098086 0.80 SLC6A9 (0.45) SLC6A9HPGDKMT2AUSP30ANO1
SCHEMBL3059626 0.79 SLC6A9 (0.60) SLC6A9HPGDKMT2AMEN1
SCHEMBL3055700 0.78 SLC6A9 (0.59) SLC6A9HPGDKMT2AMEN1
SCHEMBL7803787 0.77 SLC6A9 (0.50) SLC6A9KMT2AMEN1GPR119
SCHEMBL3894370 0.76 SLC6A9 (0.58) SLC6A9HPGDKMT2AMEN1
SCHEMBL2850636 0.75 SLC6A9 (1.00) SLC6A9
SCHEMBL7895891 0.75 SLC6A9 (0.62) SLC6A9HPGDKMT2A
SCHEMBL9948274 0.74 GPR119 (0.50) ADORA2AADORA2BUSP30POLBGPR119
SCHEMBL3059786 0.73 SLC6A9 (0.63) SLC6A9HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207155-B2 Sulfonyl-azetidin-3-yl-methylamine amide analogs as GlyTl inhibitors, methods for making same, and use of same in treating psychiatric disorders VANDERBILT UNIVERSITY (US) 2012-06-26 US disclosed
US-8207155-B2 Sulfonyl-azetidin-3-yl-methylamine amide analogs as GlyTl inhibitors, methods for making same, and use of same in treating psychiatric disorders VANDERBILT UNIVERSITY (US) 2012-06-26 US disclosed
US-8207155-B2 Sulfonyl-azetidin-3-yl-methylamine amide analogs as GlyTl inhibitors, methods for making same, and use of same in treating psychiatric disorders VANDERBILT UNIVERSITY (US) 2012-06-26 US disclosed
US-20100261696-A1 SULFONYL-AZETIDIN-3-YL-METHYLAMINE AMIDE ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY 2010-10-14 US disclosed
US-20100261696-A1 SULFONYL-AZETIDIN-3-YL-METHYLAMINE AMIDE ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY 2010-10-14 US disclosed
US-20100261696-A1 SULFONYL-AZETIDIN-3-YL-METHYLAMINE AMIDE ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY 2010-10-14 US disclosed
WO-2010114907-A1 SULFONYL-AZETIDIN-3-YL-METHYLAMINE AMIDE ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2010-10-07 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 (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-20100261696-A1 SULFONYL-AZETIDIN-3-YL-METHYLAMINE AMIDE ANALOGS AS GLYT1 INHIBITORS, METHODS FOR MAKING SAME, AND USE OF SAME IN TREATING PSYCHIATRIC DISORDERS SLC1A2, SLC1A1, SLC18A2 SLC6A9 23/4885ADORA2A 860/4885ADORA2B 1348/4885

“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.