SCHEMBL5739464

SCHEMBL5739464

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 6/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
VCAM1 P19320 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 2/20 0.45
TAAR1 Q96RJ0 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL28859856 0.85 MAPT (0.50) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2
SCHEMBL357928 0.81 PDK1 (0.55) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2
SCHEMBL5739620 0.81 TDP1 (0.47) ALDH1A1MAPTSMN1; SMN2MAPK1L3MBTL1
SCHEMBL535249 0.80 MAPK1 (0.53) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2
SCHEMBL365653 0.79 USP7 (0.51) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2
SCHEMBL5740032 0.78 MAPK1 (0.52) ALDH1A1NPSR1MAPTPOLBMAPK1
SCHEMBL535457 0.78 MAPK1 (0.52) ALDH1A1NPSR1MAPTMAPK1TSHR
SCHEMBL29836060 0.78 MAPK1 (0.52) ALDH1A1NPSR1MAPTMAPK1TSHR
SCHEMBL5149992 0.78 MAPK1 (0.52) ALDH1A1NPSR1MAPTPOLBMAPK1
SCHEMBL67686 0.78 ALDH1A1 (0.58) ALDH1A1NPSR1MAPTPOLBSMN1; SMN2

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 ALDH1A1 250/4885NPSR1 110/4885MAPT 3526/4885

“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.