SCHEMBL10248745

SCHEMBL10248745

CN(C)C(=O)CC1CC(CC(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.37
SLC6A11 P48066 5/20 0.37
SLC6A13 Q9NSD5 5/20 0.37
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRA4 P48169 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD11B1 P28845 1/20 0.34
DPP4 P27487 1/20 0.34
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
PHF8 Q9UPP1 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31

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
SCHEMBL10248675 0.83 ALDH1A1 (0.37) ALDH1A1GAADPP4TSHR
SCHEMBL28513346 0.81 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10248640 0.80 ALDH1A1 (0.33) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10248670 0.78 SLC6A12 (0.37) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL16399328 0.77
SCHEMBL10248709 0.75 ALDH1A1 (0.44) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL25975361 0.74 DPP4 (0.34) ALDH1A1GAADPP4LTA4H
SCHEMBL16055768 0.73 KMT2A (0.42) ALDH1A1GAAPOLBDPP4LTA4H
SCHEMBL20572677 0.72 SLC6A12 (0.42) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL20572678 0.72 SLC6A12 (0.42) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5

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-20180127451-A1 SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2018-05-10 US disclosed
US-9688714-B2 Substituted purine compounds Epizyme, Inc. (US) 2017-06-27 US disclosed
US-20160368943-A1 SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2016-12-22 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 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 (4 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-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 SLC6A12 4124/4885SLC6A11 2873/4885SLC6A13 3789/4885
US-20160368943-A1 SUBSTITUTED PURINE COMPOUNDS DIMT1, DOT1L, TPMT SLC6A12 4054/4885SLC6A11 3616/4885SLC6A13 4353/4885
US-20180127451-A1 SUBSTITUTED PURINE COMPOUNDS DIMT1, DOT1L, TPMT SLC6A12 4054/4885SLC6A11 3616/4885SLC6A13 4353/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 SLC6A12 4124/4885SLC6A11 2873/4885SLC6A13 3789/4885

“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.