SCHEMBL3149403

SCHEMBL3149403

O=C(OCc1ccccc1)N1CCNc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TMEM97 Q5BJF2 9/20 0.49
SIGMAR1 Q99720 9/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
HRH2 P25021 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR1E P28566 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL3149969 0.86 TMEM97 (0.49) MAPK1MEN1KMT2ANPSR1NPC1
SCHEMBL3154241 0.86 TMEM97 (0.47) MAPK1MEN1KMT2ANPSR1NPC1
SCHEMBL3149378 0.86 TMEM97 (0.47) MAPK1MEN1KMT2ANPSR1NPC1
SCHEMBL3144506 0.86 AVPR1A (0.47) MAPK1MEN1KMT2ANPSR1NPC1
SCHEMBL3149722 0.84 SCN5A (0.49) MAPK1TMEM97SIGMAR1HTR1AADRA2A
SCHEMBL3145421 0.83 DPP4 (0.48) MAPK1MEN1KMT2ANPSR1TMEM97
SCHEMBL23055438 0.83 MEN1 (0.55) MAPK1MEN1KMT2ANPSR1NPC1
SCHEMBL92518 0.83 L3MBTL1 (0.56) MAPK1MEN1KMT2ANPSR1NPC1
SCHEMBL5778191 0.82 MEN1 (0.53) MAPK1MEN1KMT2ANPSR1NPC1
SCHEMBL324086 0.80 TMEM97 (0.64) MEN1KMT2ANPSR1NPC1RAB9A

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 5 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
EP-1497293-B1 (1,4)DIAZEPINO(6,7,1-IJ)QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS WYETH CORP (US) 2008-06-11 EP 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
US-7129237-B2 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH (US) 2006-10-31 US disclosed
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH 2004-01-15 US 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 MAPK1 869/4885MEN1 1065/4885KMT2A 471/4885
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR1D MAPK1 744/4885MEN1 1590/4885KMT2A 479/4885

“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.