SCHEMBL5357004

SCHEMBL5357004

CCOC(=O)c1cc2cccc(C)c2n1C(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
PCSK9 Q8NBP7 1/20 0.37
KDM4A O75164 1/20 0.36
BRD4 O60885 1/20 0.36
NQO2 P16083 1/20 0.36
SERPINE1 P05121 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
NOD2 Q9HC29 3/20 0.35
NOD1 Q9Y239 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
ABCB1 P08183 1/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL5357000 1.00 SYK (0.40) SYKPCSK9KDM4ABRD4NQO2
SCHEMBL4044928 0.90 SYK (0.39) SYKPCSK9KDM4ABRD4NQO2
SCHEMBL4038865 0.90 SYK (0.39) SYKPCSK9KDM4ABRD4NQO2
SCHEMBL5356811 0.90 SYK (0.39) SYKPCSK9KDM4ANQO2SERPINE1
SCHEMBL5356802 0.90 SYK (0.39) SYKPCSK9KDM4ANQO2SERPINE1
SCHEMBL5357155 0.90 SYK (0.40) SYKPCSK9SERPINE1ADORA3ADORA2A
SCHEMBL5357148 0.90 SYK (0.40) SYKPCSK9SERPINE1ADORA3ADORA2A
SCHEMBL5357465 0.89 SYK (0.39) SYKPCSK9KDM4ABRD4NQO2
SCHEMBL5357460 0.89 SYK (0.39) SYKPCSK9KDM4ABRD4NQO2
SCHEMBL28746073 0.89 PCSK9 (0.39) SYKPCSK9KDM4ABRD4NQO2

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 3413/4885PCSK9 820/4885KDM4A 987/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 SYK 4160/4885PCSK9 1121/4885KDM4A 2372/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR SYK 3413/4885PCSK9 820/4885KDM4A 987/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A SYK 3324/4885PCSK9 1236/4885KDM4A 824/4885

“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.