SCHEMBL6325206

SCHEMBL6325206

CC1C2CC(CN(Cc3ccccc3)C2)CN1CC(O)COc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
AGER Q15109 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CHRNA7 P36544 1/20 0.41
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
DRD4 P21917 2/20 0.41

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
SCHEMBL6326790 0.89 MEN1 (0.52) MEN1KMT2ATSHRHSD17B10AGER
SCHEMBL6326862 0.89 MEN1 (0.52) MEN1KMT2ATSHRHSD17B10AGER
SCHEMBL7036576 0.86 KMT2A (0.57) MEN1KMT2ATSHRHSD17B10AGER
SCHEMBL6327371 0.83 MEN1 (0.42) MEN1KMT2AHSD17B10AGERALDH1A1
SCHEMBL6327367 0.80 HRH2 (0.44) MEN1KMT2AHSD17B10AGERALDH1A1
SCHEMBL6329333 0.80 HRH2 (0.44) MEN1KMT2AHSD17B10AGERALDH1A1
SCHEMBL5965585 0.77 KMT2A (0.54) MEN1KMT2ATSHRHSD17B10AGER
SCHEMBL6996268 0.77 CACNA1G (0.57) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL7032087 0.76 KDM4E (0.60) MEN1KMT2ATSHRAGERALDH1A1
SCHEMBL6993770 0.76 KDM4E (0.60) MEN1KMT2ATSHRAGERALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 US claimed
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
US-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1192156-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000076998-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E MEN1 2260/4885KMT2A 2608/4885TSHR 743/4885
US-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias DRD2, ADRA1D, KCND2 MEN1 2418/4885KMT2A 2342/4885TSHR 371/4885

“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.