SCHEMBL3149722

SCHEMBL3149722

COc1ccc2c(c1)CN(C(=O)OCc1ccccc1)CCN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
TMEM97 Q5BJF2 13/20 0.48
SIGMAR1 Q99720 13/20 0.48
HRH1 P35367 3/20 0.47
HRH3 Q9Y5N1 3/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
HRH2 P25021 2/20 0.47
HTR2C P28335 2/20 0.47
HTR1E P28566 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL3149378 0.85 TMEM97 (0.47) TMEM97SIGMAR1HRH1HRH3ADRA2A
SCHEMBL3154241 0.85 TMEM97 (0.47) TMEM97SIGMAR1HRH1HRH3ADRA2A
SCHEMBL3144506 0.85 AVPR1A (0.47) TMEM97SIGMAR1HRH1HRH3ADRA2A
SCHEMBL3149403 0.84 MAPK1 (0.62) TMEM97SIGMAR1HRH1HRH3ADRA2A
SCHEMBL2061081 0.83 NPC1 (0.52) SCN5ASCN9ATMEM97SIGMAR1HRH1
SCHEMBL3424910 0.79 RYR2 (0.70) RYR2
SCHEMBL31532645 0.79 RYR2 (0.70) RYR2
SCHEMBL3149969 0.78 TMEM97 (0.49) TMEM97SIGMAR1HRH1HRH3ADRA2A
SCHEMBL29234306 0.77 KDM4E (0.49) TMEM97SIGMAR1HTR2CHTR1AALDH1A1
SCHEMBL3426026 0.77 RYR2 (0.58) TMEM97SIGMAR1HRH1HRH3ADRA2A

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
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
EP-1497293-A1 (1,4)DIAZEPINO(6,7,1-IJ)QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS Wyeth (US) 2005-01-19 EP disclosed
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH 2004-01-15 US disclosed
WO-2003091250-A1 [1,4]DIAZEPINO[6,7,1-IJ]QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC 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 SCN5A 342/4885SCN9A 579/4885TMEM97 248/4885
US-20040009970-A1 [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR1D SCN5A 324/4885SCN9A 630/4885TMEM97 205/4885

“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.