SCHEMBL6996460

SCHEMBL6996460

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
OPRM1 P35372 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM1A O60341 2/20 0.39
GRM2 Q14416 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
HTR7 P34969 2/20 0.37
CACNA1F O60840 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
HRH2 P25021 1/20 0.37

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
SCHEMBL7957186 0.85 HTR1A (0.47) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL6743201 0.85 NAMPT (0.44) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL6736841 0.84 HTR1A (0.41) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL6995606 0.82 HRH3 (0.49) HRH1HRH2DRD3ALDH1A1
SCHEMBL6741876 0.81 NAMPT (0.39) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL6995238 0.80 HTR1A (0.40) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL6741934 0.79 KDM1A (0.38) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7948923 0.77 KCNH2 (0.52) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL6741203 0.77 KCNJ1 (0.47) KDM1AKCNJ1KCNH2DRD2DRD3
SCHEMBL6999087 0.75 KCNH2 (0.67) KCNJ1KCNH2DRD2ADRA1DADRA1A

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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E HTR1A 207/4885DRD4 97/4885HTR2A 293/4885

“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.