SCHEMBL4040904

SCHEMBL4040904

CCc1cccc2ccn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.46
OXER1 Q8TDS5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
BUB1 O43683 1/20 0.39
BCHE P06276 1/20 0.38
NR1H2 P55055 4/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
NQO2 P16083 1/20 0.36
BACE1 P56817 1/20 0.36
ACHE P22303 1/20 0.35
KMT2A Q03164 2/20 0.34
HTR6 P50406 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
NOTUM Q6P988 1/20 0.34
NR1H3 Q13133 1/20 0.33
MEN1 O00255 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
SCHEMBL1347686 0.89 ACLY (0.44) ACLYOXER1L3MBTL1BUB1BCHE
SCHEMBL31370595 0.89 ACLY (0.44) ACLYOXER1L3MBTL1BUB1BCHE
SCHEMBL29183522 0.88 ACLY (0.46) ACLYOXER1L3MBTL1BUB1BCHE
SCHEMBL27839506 0.87 ACLY (0.43) ACLYOXER1L3MBTL1BUB1BCHE
SCHEMBL1350891 0.87 ACLY (0.43) ACLYOXER1L3MBTL1BUB1BCHE
SCHEMBL31370381 0.87 ACLY (0.45) ACLYOXER1L3MBTL1BUB1BCHE
SCHEMBL1349273 0.82 ACLY (0.47) ACLYL3MBTL1BUB1BCHENR1H2
SCHEMBL30711258 0.82 ACLY (0.47) ACLYL3MBTL1BUB1BCHENR1H2
SCHEMBL2877952 0.81 ACLY (0.47) ACLYL3MBTL1BUB1BCHENR1H2
SCHEMBL16339898 0.81 ACLY (0.54) ACLYL3MBTL1BUB1BCHENR1H2

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-1846410-B1 DIHYDROQUINAZOLINONES AS 5HT MODULATORS BRISTOL MYERS SQUIBB CO (US) 2009-01-21 EP claimed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
US-7253281-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles BENTLEY JONATHAN M 2007-05-10 US disclosed
US-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles BENTLEY JONATHAN M 2005-10-27 US disclosed
EP-1325008-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-10-05 EP disclosed
US-6933387-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2005-08-23 US disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 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-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles GPR119, INSR, GIPR ACLY 3340/4885OXER1 207/4885L3MBTL1 595/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 ACLY 3090/4885OXER1 281/4885L3MBTL1 1048/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR ACLY 3340/4885OXER1 207/4885L3MBTL1 595/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 ACLY 3040/4885OXER1 1251/4885L3MBTL1 3591/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A ACLY 803/4885OXER1 603/4885L3MBTL1 1783/4885

“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.