SCHEMBL6733580

SCHEMBL6733580

COCCOCCN1CC2CC(C1)CN(C(=O)Nc1ccc(C#N)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.46
PDGFRB P09619 10/20 0.46
KCNA5 P22460 2/20 0.43
NAMPT P43490 4/20 0.43
PGR P06401 1/20 0.41
CCR2 P41597 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL7028521 0.81 EGLN2 (0.40) KCNA5
SCHEMBL6743525 0.81 CCR2 (0.44) GRIN2BNAMPTPGRCCR2FAAH
SCHEMBL6995882 0.80 DRD3 (0.52) NAMPT
SCHEMBL6737659 0.80 EPHX2 (0.48) GRIN2BPDGFRBKCNA5NAMPTCCR2
SCHEMBL7035866 0.80 HRH3 (0.49) KCNA5
SCHEMBL6738742 0.79 HRH2 (0.45) KCNA5
SCHEMBL6733799 0.79 FAAH (0.47) GRIN2BPDGFRBNAMPTFAAH
SCHEMBL6740762 0.78 CCR2 (0.56) GRIN2BNAMPTCCR2FAAH
SCHEMBL6738695 0.77 NAMPT (0.46) GRIN2BNAMPTPGRCCR2FAAH
SCHEMBL6742058 0.77 NAMPT (0.56) GRIN2BNAMPTPGRCCR2FAAH

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 GRIN2B 549/4885PDGFRB 3911/4885KCNA5 81/4885

“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.