SCHEMBL5361095

SCHEMBL5361095

CCOC(=O)c1cc2cc(C)ccc2n1C(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
SYK P43405 1/20 0.39
NOD2 Q9HC29 3/20 0.38
NOD1 Q9Y239 3/20 0.38
LMNA P02545 4/20 0.37
ABCB1 P08183 1/20 0.37
TP53 P04637 3/20 0.36
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SERPINE1 P05121 1/20 0.36
BRD4 O60885 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5361079 1.00 MAPT (0.45) MAPTSYKNOD2NOD1LMNA
SCHEMBL5357070 0.90 NOD2 (0.38) MAPTSYKNOD2NOD1ABCB1
SCHEMBL5357064 0.90 NOD2 (0.38) MAPTSYKNOD2NOD1ABCB1
SCHEMBL7095593 0.89 NOD2 (0.45) SYKNOD2NOD1TSHRSERPINE1
SCHEMBL27548104 0.89 MEN1 (0.39) MAPTSYKLMNATP53RXFP1
SCHEMBL2973945 0.85 PCSK9 (0.35) MAPTSYKABCB1TSHRSERPINE1
SCHEMBL1980013 0.85 SERPINE1 (0.40) MAPTSYKNOD2NOD1TSHR
SCHEMBL5357148 0.84 SYK (0.40) MAPTSYKABCB1TSHRSERPINE1
SCHEMBL5357155 0.84 SYK (0.40) MAPTSYKABCB1TSHRSERPINE1
SCHEMBL5356622 0.84 SERPINE1 (0.37) MAPTSYKNOD2NOD1ABCB1

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 MAPT 3730/4885SYK 3413/4885NOD2 2769/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 MAPT 3760/4885SYK 4160/4885NOD2 3145/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR MAPT 3730/4885SYK 3413/4885NOD2 2769/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A MAPT 3381/4885SYK 3324/4885NOD2 3933/4885

“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.