SCHEMBL29607124

SCHEMBL29607124

O=C1c2c(cccc2[N+](=O)[O-])CN1[C@@H]1CN2CCC1CC2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.48
HTR3B O95264 1/20 0.45
ADRA2A P08913 1/20 0.45
KCNE1 P15382 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
CHRNA4 P43681 1/20 0.45
KCNQ1 P51787 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
LMNA P02545 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
SCHEMBL4074347 0.80 HTR3A (0.52) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL24469672 0.80 HTR3A (0.52) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL24469488 0.80 HTR3A (0.52) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL4087446 0.78 HTR3A (0.56) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL4074754 0.75 HTR3A (0.53) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL6575344 0.74 HTR3A (0.48) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL6575375 0.74 HTR3A (0.48) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL6575349 0.74 HTR3A (0.48) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL4079345 0.74 HTR3A (0.62) HTR3AHTR3BADRA2AKCNE1ADRA2C
SCHEMBL4079344 0.74 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-03-07 US disclosed
EP-4251149-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Merck Sharp & Dohme LLC (US) 2023-10-04 EP disclosed
WO-2022115301-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-02 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-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 HTR3A 3897/4885HTR3B 3756/4885ADRA2A 3098/4885

“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.