SCHEMBL6575349

SCHEMBL6575349

O=C1c2c(ccc3ccccc23)CN1C1CN2CCC1CC2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.48
HTR3B O95264 1/20 0.42
ADRA2A P08913 1/20 0.42
KCNE1 P15382 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
CHRNA4 P43681 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42

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
SCHEMBL6575344 1.00 HTR3A (0.48) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL6575375 1.00 HTR3A (0.48) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL6575402 0.79 HTR3A (0.47) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL6575406 0.79 HTR3A (0.47) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL4087446 0.79 HTR3A (0.56) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL24469488 0.78 HTR3A (0.52) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL4074347 0.78 HTR3A (0.52) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL24469672 0.78 HTR3A (0.52) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL4079344 0.77 HTR3A (0.62) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL4079345 0.77 HTR3A (0.62) HTR3AHTR3BADRA2AKCNE1ADRA2C

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
EP-1018512-B1 Novel basic derivatives of benz(e)isoindol-1-ones and pyrrolo(3,4-c)quinolin-1-ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use ROTTA RESEARCH LAB (IT) 2004-06-16 EP disclosed
US-6413978-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2002-07-02 US disclosed
US-20020042426-A1 Novel basic derivatives of benz[e] isoindol-1-ones and pyrrolo[3,4-c] quinolin-1ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use ROTTA RESEARCH LABORATORIUM S.P.A. 2002-04-11 US disclosed
US-6323216-B1 SELECTIVE ANTAGONISTS OF THE 5-HT.SUB.3 SEROTONIN-LIKE RECEPTOR AND CAN THEREFORE BE USED, AS ANTI-EMETICS AS WELL AS IN VARIOUS PATHOLOGICAL CONDITIONS OF THE CENTRAL NERVOUS SYSTEM, AND AS ANTITUSSIVES. ROTTA RESEARCH LABORATORIUM S.P.A (IT) 2001-11-27 US disclosed
EP-1018512-A1 Novel basic derivatives of benz(e)isoindol-1-ones and pyrrolo(3,4-c)quinolin-1-ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 2000-07-12 EP 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-20020042426-A1 Novel basic derivatives of benz[e] isoindol-1-ones and pyrrolo[3,4-c] quinolin-1ones with 5-HT3-antagonistic activity, their preparation and their therapeutic use HTR3C, HTR3A, TPH1 HTR3A 2/4885HTR3B 8/4885ADRA2A 136/4885

“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.