SCHEMBL5211010

SCHEMBL5211010

O=Cc1cccc(C=C[N+](=O)[O-])c1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.85
VCP P55072 2/20 0.66
TLR4 O00206 6/20 0.58
TLR2 O60603 6/20 0.58
ABL1 P00519 1/20 0.53
EGFR P00533 1/20 0.53
ABL2 P42684 1/20 0.53
TERT O14746 1/20 0.53
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL8625808 0.79 FBP1 (1.00) FBP1VCPTLR4TLR2MAOB
SCHEMBL8625803 0.79 FBP1 (1.00) FBP1VCPTLR4TLR2MAOB
SCHEMBL1027331 0.79 FBP1 (1.00) FBP1VCPTLR4TLR2ABL1
SCHEMBL1937312 0.79 FBP1 (1.00) FBP1VCPTLR4TLR2ABL1
SCHEMBL1027330 0.79 FBP1 (1.00) FBP1VCPTLR4TLR2ABL1
SCHEMBL527535 0.79 FBP1 (1.00) FBP1VCPTLR4TLR2MAOA
SCHEMBL2073418 0.79 FBP1 (1.00) FBP1VCPTLR4TLR2ABL1
SCHEMBL12720865 0.79 FBP1 (1.00) FBP1VCPTLR4TLR2ABL1
SCHEMBL527534 0.79 FBP1 (1.00) FBP1VCPTLR4TLR2MAOA
SCHEMBL6806353 0.79 FBP1 (0.75) FBP1VCPTLR4TLR2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497294-B1 1,2,3,4,7,8-HEXAHYDRO-6 i H /i - 1,4 DIAZEPINO 6,7 ,1- i 1J /i QUINOLINE DERIVATIVES AS ANTIPSYCHOTIC AND ANTI OBESITY AGENTS WYETH CORP (US) 2007-03-28 EP disclosed
US-20060154920-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij] quinoline derivatives as antipsychotic and antiobesity agents WYETH (US) 2006-07-13 US disclosed
US-7071185-B2 1,2,3,4,7,8-hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH (US) 2006-07-04 US disclosed
EP-1497294-A1 1,2,3,4,7,8-HEXAHYDRO-6 i H /i - 1,4 DIAZEPINO 6,7 ,1- i 1J /i QUINOLINE DERIVATIVES AS ANTIPSYCHOTIC AND ANTI OBESITY AGENTS Wyeth (US) 2005-01-19 EP disclosed
US-20040019040-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH 2004-01-29 US disclosed
WO-2003091251-A1 1,2,3,4,7,8-HEXAHYDRO-6H-[1,4]DIAZEPINO[6,7,1-1J]QUINOLINE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS WYETH (US) 2003-11-06 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 (2 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-20060154920-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij] quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR7, HTR1A FBP1 968/4885VCP 3879/4885TLR4 2625/4885
US-20040019040-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR7 FBP1 653/4885VCP 3841/4885TLR4 2551/4885

“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.