SCHEMBL2856066

SCHEMBL2856066

CC(C)(C)OC(=O)N1CC(C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.56
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
BACE1 P56817 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
USP30 Q70CQ3 2/20 0.39
SLC6A12 P48065 1/20 0.39
LMNA P02545 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
SCHEMBL7803787 0.90 SLC6A9 (0.50) SLC6A9MEN1KMT2ANPC1RAB9A
SCHEMBL2854460 0.86 SLC6A9 (0.60) SLC6A9MEN1KMT2APOLBUSP30
SCHEMBL2850005 0.77 SLC6A9 (0.54) SLC6A9MEN1KMT2ANPC1RAB9A
SCHEMBL13141041 0.77 SLC6A9 (0.50) SLC6A9MEN1KMT2ANPC1RAB9A
SCHEMBL28347730 0.76 KMT2A (0.53) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22023419 0.76 KMT2A (0.53) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2850232 0.76 SLC6A9 (0.64) SLC6A9
SCHEMBL21381674 0.75 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22265989 0.72 STS (0.47) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL28348268 0.72 KDM4E (0.60) MEN1KMT2ANPC1RAB9AALDH1A1

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 23/4885MEN1 789/4885KMT2A 631/4885

“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.