SCHEMBL6326776

SCHEMBL6326776

CC1C2CC(CN(C(=O)O)C2)C(C)N1CC(O)COc1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 1/20 0.42
AGER Q15109 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
SCHEMBL6332100 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL6327371 0.89 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL6095179 0.85 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL6335799 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL7514139 0.84 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL6326862 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL6326790 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL6316723 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EKCNH2
SCHEMBL6325216 0.82 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL6325518 0.82 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2005-01-06 US disclosed
EP-1192156-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-02-18 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-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias DRD2, ADRA1D, KCND2 MEN1 2418/4885KMT2A 2342/4885ALDH1A1 2346/4885

“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.