SCHEMBL5741556

SCHEMBL5741556

O=C1CNCCc2ccccc2N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
MAPK13 O15264 1/20 0.63
MAPK12 P53778 1/20 0.63
MAPK11 Q15759 1/20 0.63
MAPK14 Q16539 1/20 0.63
MAPT P10636 2/20 0.59
AHR P35869 1/20 0.55
PDK2 Q15119 1/20 0.55
PNMT P11086 2/20 0.53
CD44 P16070 1/20 0.53
MAOB P27338 1/20 0.53
HTR2C P28335 1/20 0.48
BRD4 O60885 2/20 0.46
CREBBP Q92793 2/20 0.46
PRCP P42785 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PDPK1 O15530 1/20 0.39

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
Oxindole SCHEMBL26097604 0.83 AHR (0.68) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11094326 0.82 PNMT (0.65) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2061729 0.82 AHR (0.61) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11099268 0.80 HTR2C (0.68) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4227502 0.78 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL10032 0.78 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29365738 0.78 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL30293252 0.76 NPC1 (0.96) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2138422 0.75 MAPT (0.92) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL518954 0.75 MAPT (1.00) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687620-B2 [1,4]diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents WYETH LLC (US) 2010-03-30 US disclosed
US-20070004707-A1 [1,4]Diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents RAMAMOORTHY P S 2007-01-04 US 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
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 (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-20070004707-A1 [1,4]Diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR1D NPC1 1123/4885MAPK13 2177/4885MAPK12 2476/4885
US-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents HTR1A, HTR2C, HTR1D NPC1 1745/4885MAPK13 3064/4885MAPK12 3193/4885

“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.