SCHEMBL16277686

SCHEMBL16277686

Cn1nc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n(COCC[Si](C)(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.38
LPL P06858 12/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
NPC1 O15118 1/20 0.32
SNCA P37840 1/20 0.32
DGAT1 O75907 1/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL16277767 0.80 DGAT1 (0.39) CA1CA2CA9NPC1DGAT1
SCHEMBL30051335 0.80 LPL (0.40) LIPGLPLCA1CA2CA9
SCHEMBL16660866 0.78 LIPG (0.40) LIPGLPLCA1CA2CA9
SCHEMBL27153282 0.77 NPC1 (0.39) LIPGLPLCA1CA2CA9
SCHEMBL22967310 0.77 DGAT1 (0.43) LIPGLPLCA1CA2CA9
SCHEMBL16283835 0.77 PRMT5 (0.32) CA1CA2CA9NPC1DGAT1
SCHEMBL16278455 0.76 DGAT1 (0.37) LIPGLPLNPC1DGAT1
SCHEMBL1440980 0.75 LPL (0.40) LIPGLPLCA1CA2CA9
SCHEMBL10276614 0.75 LPL (0.40) LIPGLPLCA1CA2CA9
SCHEMBL16661160 0.75 LPL (0.39) LIPGLPLCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 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 (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-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A LIPG 77/4885LPL 68/4885CA1 3580/4885
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A LIPG 77/4885LPL 68/4885CA1 3580/4885

“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.