SCHEMBL1019178

SCHEMBL1019178

CC(C)(C)OC(=O)c1cnc(C(=O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.46
GABRB3 P28472 13/20 0.46
GABRA1 P14867 12/20 0.46
GABRA2 P47869 12/20 0.46
GABRA5 P31644 12/20 0.46
GABRA3 P34903 11/20 0.46
GABRA6 Q16445 10/20 0.46
GABRA4 P48169 5/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRE P78334 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGDS O60760 1/20 0.43

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
SCHEMBL29208228 0.83 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL988761 0.83 POLB (0.54) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL29700722 0.83 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2646157 0.81 SIRT6 (0.52) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2645097 0.81 GABRG2 (0.48) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL28901899 0.81 GABRG2 (0.43) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2645705 0.81 GABRG2 (0.47) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL31515460 0.81 SIRT6 (0.52) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL10295959 0.81 GABRG2 (0.48) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL1018980 0.80 POLB (0.47) GABRG2GABRB3GABRA1GABRA2GABRA5

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
CN-101848899-B As the N-benzyl of LXR conditioning agent, N '-aryl carbonyl bridged piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2016-03-02 CN disclosed
US-8314091-B2 N-benzyl,N'-arylcarbonylpiperazine derivatives MSD OSS B.V. (NL) 2012-11-20 US disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 EP disclosed
CN-101848899-A N-benzyl, n' -arylcarbonylpiperazine derivatives as lxr modulators ORGANON NV 2010-09-29 CN disclosed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 EP disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 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-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 GABRG2 1484/4885GABRB3 1454/4885GABRA1 1427/4885

“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.