SCHEMBL6738618

SCHEMBL6738618

CCCC(=O)CCCN1CC2CC(C1)CN(C(=O)NNC(=O)c1ccc(C#N)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.41
HRH2 P25021 4/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CCR3 P51677 1/20 0.36
NAMPT P43490 2/20 0.36
DRD3 P35462 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
KDM1A O60341 3/20 0.35
SLC6A3 Q01959 1/20 0.35
PGR P06401 1/20 0.35
CD274 Q9NZQ7 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL7027153 0.85 CCR3 (0.48) HRH1HRH2ALDH1A1CCR3NAMPT
SCHEMBL6741934 0.82 KDM1A (0.38) HRH1HRH2NAMPTDRD3HTR1A
SCHEMBL7482983 0.81 ALDH1A1 (0.37) HRH1HRH2ALDH1A1DRD3HTR1A
SCHEMBL7106389 0.78 HRH2 (0.47) HRH1HRH2
SCHEMBL6999554 0.77 HRH2 (0.48) HRH1HRH2ALDH1A1
SCHEMBL7030216 0.74 KCNH2 (0.51) HRH1HRH2ALDH1A1
SCHEMBL7032117 0.73 CYP11B2 (0.38) HRH1HRH2MAOBKDM1ACNR2
SCHEMBL7482979 0.73 HRH1 (0.35) HRH1HRH2ALDH1A1CCR3NAMPT
SCHEMBL6996460 0.72 HTR1A (0.41) HRH1HRH2ALDH1A1DRD3HTR1A
SCHEMBL6743201 0.72 NAMPT (0.44) HRH1HRH2CCR3NAMPTDRD3

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 1 patent. 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

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 HRH1 184/4885HRH2 113/4885MAOA 318/4885

“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.