SCHEMBL203296

SCHEMBL203296

C[C@H](N)CN(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1248340 1.00 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1025811 0.84 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1GRIK1
SCHEMBL2716369 0.83 SLC7A5 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1978556 0.83 SLC7A5 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL4854700 0.83 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1GRIK1
SCHEMBL15910556 0.80 SLC7A5 (0.41) SLC7A5MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL15910554 0.80 SLC7A5 (0.41) SLC7A5MAPTSLC1A3SLC1A2SLC1A1
SCHEMBL13731404 0.80 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1
SCHEMBL1952760 0.80 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1
SCHEMBL1979048 0.80 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1

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-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-08-21 US disclosed
US-20160016962-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-21 US disclosed
US-20150290190-A1 [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-15 US disclosed
US-9040534-B2 [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-20140275096-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20110207725-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2011-08-25 US disclosed
US-7943609-B2 Such as (tetrahydr)imidazo(4,5-c ) quinoline or naphthymidine; immunomoderators; induce cytokine biosynthesis in animals; anticancer agents; viricides 3M INNOVATIVE PROPRERTIES COMPANY (US) 2011-05-17 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-20140275096-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX2 GABRP 354/4885GABRD 918/4885GABRA1 427/4885
US-20160016962-A1 P2X7 MODULATORS P2RX5, P2RX1, P2RX7 GABRP 590/4885GABRD 1163/4885GABRA1 525/4885
US-20150290190-A1 [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS P2X7 MODULATORS P2RX7, P2RX5, P2RX2 GABRP 413/4885GABRD 1123/4885GABRA1 505/4885
US-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators HTR5A, P2RX5, P2RX3 GABRP 737/4885GABRD 1433/4885GABRA1 595/4885
US-20110207725-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNAR1, IFNG, IL4 GABRP 1685/4885GABRD 1446/4885GABRA1 1610/4885

“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.