SCHEMBL6739004

SCHEMBL6739004

CCNC(=O)N1CC2CC(CN(CCCC(Oc3ccc(OC)c(OC)c3)c3ccc(C#N)cc3)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 3/20 0.38
SLC6A4 P31645 1/20 0.38
MCHR1 Q99705 1/20 0.38
DRD3 P35462 1/20 0.37
FAAH O00519 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL6095424 0.92 POLB (0.41) POLBHRH3SLC6A4MCHR1DRD3
SCHEMBL2964357 0.90 POLB (0.39) POLBHRH3SLC6A4MCHR1DRD3
SCHEMBL6740792 0.89 SLC6A4 (0.41) HRH3SLC6A4MCHR1DRD3CYP2D6
SCHEMBL6992027 0.88 HRH3 (0.39) HRH3SLC6A4MCHR1DRD3MAPT
SCHEMBL6738560 0.87 HRH3 (0.42) HRH3SLC6A4MCHR1DRD3CHRNA7
SCHEMBL5965486 0.86 MCHR1 (0.40) POLBHRH3SLC6A4MCHR1DRD3
SCHEMBL5965641 0.86 POLB (0.42) POLBHRH3SLC6A4MCHR1DRD3
SCHEMBL6733555 0.86 PDE4B (0.39) HRH3SLC6A4MAPT
SCHEMBL6997329 0.85 SLC6A4 (0.39) HRH3SLC6A4MCHR1DRD3CYP2D6
SCHEMBL6993367 0.85 HRH3 (0.40) HRH3SLC6A4MCHR1DRD3CYP2D6

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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 US disclosed
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-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 (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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D POLB 1658/4885HRH3 300/4885SLC6A4 1428/4885

“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.