SCHEMBL1028103

SCHEMBL1028103

CC(CCN)N(C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.43
CPB2 Q96IY4 2/20 0.34
GABBR2 O75899 2/20 0.33
GABBR1 Q9UBS5 2/20 0.33
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRG1 Q8N1C3 2/20 0.30
GABRG3 Q99928 2/20 0.30
GABRQ Q9UN88 2/20 0.30

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
SCHEMBL78956 1.00 GABRR1 (0.43) GABRR1CPB2GABBR2GABBR1GABRP
SCHEMBL80779 1.00 GABRR1 (0.43) GABRR1CPB2GABBR2GABBR1GABRP
SCHEMBL68248 0.83 CACNA2D1 (0.32) GABRR1GABBR2GABBR1
SCHEMBL68246 0.83 CACNA2D1 (0.32) GABRR1GABBR2GABBR1
SCHEMBL9305313 0.83 CACNA2D1 (0.32) GABRR1GABBR2GABBR1
Hydrochloric Acid SCHEMBL16027887 0.82 KDM4E (0.34) GABRR1GABBR2GABBR1
SCHEMBL2551857 0.82 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1980598 0.82 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL16027889 0.82 KDM4E (0.34) GABRR1GABBR2GABBR1
SCHEMBL19136540 0.82 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-9657009-B2 Heteroaryl substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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 (6 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-20150284382-A1 HETEROARYL SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK3, IRAK2 GABRR1 2655/4885CPB2 4360/4885GABBR2 2556/4885
US-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 GABRR1 1436/4885CPB2 339/4885GABBR2 1920/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 GABRR1 1361/4885CPB2 375/4885GABBR2 1833/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 GABRR1 1436/4885CPB2 339/4885GABBR2 1920/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 GABRR1 3176/4885CPB2 925/4885GABBR2 2513/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 GABRR1 1361/4885CPB2 375/4885GABBR2 1833/4885

“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.