SCHEMBL6734011

SCHEMBL6734011

CCCNC(=O)CNC(=O)N1CC2CC(CN(CCCNc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.37
PGR P06401 1/20 0.37
CCR3 P51677 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
MGLL Q99685 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
MEN1 O00255 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL6741876 0.87 NAMPT (0.39) NAMPTCCR3MGLLKDM4EHRH1
SCHEMBL6095076 0.84 HRH3 (0.41) NAMPTCCR3MGLLKDM4EHRH2
SCHEMBL6623202 0.82 CCR3 (0.42) NAMPTPGRCCR3HRH2HRH1
SCHEMBL6741839 0.82 MEN1 (0.38) NAMPTCCR3HRH2HRH1MEN1
SCHEMBL6743201 0.80 NAMPT (0.44) NAMPTCCR3MGLLHRH2HRH1
SCHEMBL6095007 0.79 HRH3 (0.43) NAMPTCCR3MGLLHRH2HRH1
SCHEMBL6094371 0.79 CCR3 (0.41) NAMPTCCR3HRH2HRH1MEN1
SCHEMBL6735514 0.79 KCNH2 (0.48) KDM4EMEN1POLB
SCHEMBL6739623 0.79 KCNH2 (0.48) KDM4EMEN1POLB
SCHEMBL6621239 0.77 EPHX2 (0.43) HRH2HRH1

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 NAMPT 4702/4885PGR 1546/4885CCR3 3995/4885

“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.