SCHEMBL5739620

SCHEMBL5739620

CNCCc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
ATM Q13315 1/20 0.47
MPO P05164 2/20 0.47
TAAR1 Q96RJ0 3/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 5/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE7A Q13946 1/20 0.39
SNCA P37840 1/20 0.39
LMNA P02545 1/20 0.38
ALDH3A1 P30838 1/20 0.38
KCNMA1 Q12791 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL5739464 0.81 ALDH1A1 (0.50) TDP1TAAR1ALDH1A1MAPTMAPK1
SCHEMBL3401772 0.78 TDP1 (0.52) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL27668218 0.78 TDP1 (0.52) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL5740951 0.78 TDP1 (0.52) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL23648164 0.76 TDP1 (0.53) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL30074087 0.76 ATM (0.53) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL6520096 0.76 TDP1 (0.53) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL20560688 0.76 ALDH1A1 (0.56) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL1972244 0.76 ATM (0.53) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL5108066 0.76 ALDH1A1 (0.56) TAAR1ALDH1A1L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100376581-C [1,4] diazocino [7,8, 1-hi ] indole derivatives as antipsychotic and antiobesity agents WYETH CORP (US) 2008-03-26 CN disclosed
CN-101003538-A [1,4]diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH CORP (US) 2007-07-25 CN disclosed
EP-1497296-B1 [1,4]DIAZOCINO[7,8,1-hi]INDOLE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS WYETH CORP (US) 2006-03-22 EP disclosed
US-7012089-B2 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH (US) 2006-03-14 US disclosed
CN-1662539-A [1,4] diazocino [7,8, 1-hi ] indole derivatives as antipsychotic and antiobesity agents WYETH CORP (US) 2005-08-31 CN disclosed
EP-1497296-A1 1,4 DIAZOCINO 7,8,1-hi INDOLE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS Wyeth (US) 2005-01-19 EP disclosed
US-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH 2004-02-19 US disclosed
WO-2003091257-A1 [1,4]DIAZOCINO [7,8,1-hi]INDOLE 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 (1 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-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents HTR1A, HTR2C, HTR1D TDP1 1292/4885ATM 3530/4885MPO 2103/4885

“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.