SCHEMBL6743201

SCHEMBL6743201

CCCNC(=O)N1CC2CC(CN(CCCCc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.44
HRH1 P35367 2/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
OPRM1 P35372 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRNA7 P36544 1/20 0.39
MGLL Q99685 2/20 0.38
CCR3 P51677 1/20 0.38
KDM1A O60341 3/20 0.37
GRM2 Q14416 1/20 0.37
CHRM4 P08173 1/20 0.37
HRH2 P25021 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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 0.93 NAMPT (0.39) NAMPTHRH1HTR1ADRD4HTR2A
SCHEMBL6736841 0.92 HTR1A (0.41) NAMPTHRH1HTR1ADRD4HTR2A
SCHEMBL6741934 0.87 KDM1A (0.38) NAMPTHRH1HTR1ADRD4HTR2A
SCHEMBL6741203 0.85 KCNJ1 (0.47) KCNJ1KCNH2CHRNA7KDM1ADRD2
SCHEMBL6996460 0.85 HTR1A (0.41) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL7957186 0.83 HTR1A (0.47) NAMPTHRH1HTR1ADRD4HTR2A
SCHEMBL6734011 0.80 NAMPT (0.37) NAMPTHRH1CHRNA7MGLLCCR3
SCHEMBL6739625 0.78 POLB (0.48) TSHR
SCHEMBL6741315 0.78 KCNJ1 (0.46) KCNJ1KCNH2CHRNA7KDM1ADRD2
SCHEMBL6995238 0.77 HTR1A (0.40) HRH1HTR1ADRD4HTR2AOPRM1

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 4702/4885HRH1 184/4885HTR1A 370/4885

“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.