SCHEMBL5357064

SCHEMBL5357064

CCOC(=O)c1cc2cc(F)ccc2n1[C@H](C)CNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
BRD4 O60885 1/20 0.38
SYK P43405 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
TSHR P16473 3/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
ABCB1 P08183 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SERPINE1 P05121 1/20 0.35
MKNK2 Q9HBH9 3/20 0.35
PCSK9 Q8NBP7 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
SCHEMBL5357070 1.00 NOD2 (0.38) NOD2NOD1BRD4SYKKDM4E
SCHEMBL16151243 0.90 BRD4 (0.40) NOD2NOD1BRD4KDM4EALDH1A1
SCHEMBL5361095 0.90 MAPT (0.45) NOD2NOD1BRD4SYKKDM4E
SCHEMBL5361079 0.90 MAPT (0.45) NOD2NOD1BRD4SYKKDM4E
SCHEMBL7095593 0.87 NOD2 (0.45) NOD2NOD1BRD4SYKKDM4E
SCHEMBL5356622 0.86 SERPINE1 (0.37) NOD2NOD1BRD4SYKKDM4E
SCHEMBL5356619 0.86 SERPINE1 (0.37) NOD2NOD1BRD4SYKKDM4E
SCHEMBL5353304 0.85 SERPINE1 (0.36) NOD2NOD1BRD4SYKKDM4E
SCHEMBL5353301 0.85 SERPINE1 (0.36) NOD2NOD1BRD4SYKKDM4E
SCHEMBL5363452 0.83 AAK1 (0.36) NOD2NOD1SYKKDM4EALDH1A1

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 NOD2 2769/4885NOD1 642/4885BRD4 765/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 NOD2 3145/4885NOD1 523/4885BRD4 1014/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR NOD2 2769/4885NOD1 642/4885BRD4 765/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A NOD2 3933/4885NOD1 1082/4885BRD4 1757/4885

“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.