SCHEMBL5361545

SCHEMBL5361545

CCOC(=O)c1cc2ccc(Cl)c(C)c2n1[C@H](C)CNC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
AAK1 Q2M2I8 3/20 0.36
SERPINE1 P05121 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
PCSK9 Q8NBP7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCB1 P08183 1/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL5361547 1.00 SYK (0.37) SYKAAK1SERPINE1ALDH1A1MAPT
SCHEMBL5357460 0.91 SYK (0.39) SYKAAK1SERPINE1ALDH1A1MAPT
SCHEMBL5357465 0.91 SYK (0.39) SYKAAK1SERPINE1ALDH1A1MAPT
SCHEMBL4042717 0.91 SYK (0.36) SYKAAK1SERPINE1ALDH1A1MAPT
SCHEMBL4042712 0.91 SYK (0.36) SYKAAK1SERPINE1ALDH1A1MAPT
SCHEMBL5359170 0.89 SYK (0.37) SYKAAK1SERPINE1ALDH1A1MAPT
SCHEMBL5359174 0.89 SYK (0.37) SYKAAK1SERPINE1ALDH1A1MAPT
SCHEMBL28746070 0.89 PCSK9 (0.36) SYKAAK1SERPINE1ALDH1A1PCSK9
SCHEMBL5356328 0.89 AAK1 (0.38) SYKAAK1SERPINE1ALDH1A1MAPT
SCHEMBL5356323 0.89 AAK1 (0.38) SYKAAK1SERPINE1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP 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
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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 (4 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 SYK 3413/4885AAK1 1113/4885SERPINE1 3768/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 SYK 4160/4885AAK1 319/4885SERPINE1 2358/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR SYK 3413/4885AAK1 1113/4885SERPINE1 3768/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A SYK 3324/4885AAK1 686/4885SERPINE1 2396/4885

“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.