SCHEMBL6739016

SCHEMBL6739016

CCNC(=O)N1CC2CC(CN(CCCC(O)c3ccc(C#N)cc3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 2/20 0.44
MEN1 O00255 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HRH1 P35367 7/20 0.36
HRH2 P25021 6/20 0.36
HTR2A P28223 3/20 0.36
DRD3 P35462 3/20 0.36
CACNA1F O60840 2/20 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
SCHEMBL6737928 0.90 GRIN2B (0.46) FAAHCYP3A4CYP2D6TSHRALOX12
SCHEMBL6620971 0.85 HRH1 (0.41) BLMGRIN1GRIN2BHRH1HRH2
SCHEMBL6736841 0.84 HTR1A (0.41) TSHRHRH1HRH2HTR2ADRD3
SCHEMBL6741203 0.84 KCNJ1 (0.47) FAAHDRD3DRD2CHRNA7ALDH1A1
SCHEMBL6738151 0.81 KCNA5 (0.47) SMN1; SMN2HRH1HRH2CHRNA7HRH3
SCHEMBL6739004 0.81 POLB (0.40) FAAHCYP3A4CYP2D6TSHRALOX12
SCHEMBL6986222 0.81 GPR119 (0.42) BLMGRIN1GRIN2BHRH1HRH2
SCHEMBL6738742 0.80 HRH2 (0.45) SMN1; SMN2HRH1HRH2CHRNA7HRH3
SCHEMBL6739387 0.78 KCNH2 (0.50) MAPK1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6742834 0.78 KCNH2 (0.50) MAPK1MEN1KMT2ASMN1; SMN2ALDH1A1

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 4 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
WO-2000077000-A9 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-06-19 WO 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 FAAH 942/4885CYP3A4 179/4885CYP2D6 33/4885

“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.