SCHEMBL6743525

SCHEMBL6743525

CCS(=O)(=O)CCCN1CC2CC(C1)CN(C(=O)Nc1ccc(C#N)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.44
NAMPT P43490 7/20 0.44
GRIN2B Q13224 1/20 0.43
FAAH O00519 1/20 0.41
PGR P06401 2/20 0.41
EPHX2 P34913 1/20 0.40
PANK3 Q9H999 1/20 0.40
STS P08842 3/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40

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
SCHEMBL7035035 0.84 MEN1 (0.39) PGREPHX2
SCHEMBL6737659 0.83 EPHX2 (0.48) CCR2NAMPTGRIN2BFAAHEPHX2
SCHEMBL6733580 0.81 GRIN2B (0.46) CCR2NAMPTGRIN2BFAAHPGR
SCHEMBL6740762 0.81 CCR2 (0.56) CCR2NAMPTGRIN2BFAAHEPHX2
SCHEMBL6996059 0.80 CCR3 (0.49) NAMPTEPHX2
SCHEMBL6742058 0.80 NAMPT (0.56) CCR2NAMPTGRIN2BFAAHPGR
SCHEMBL7028285 0.79 CYP19A1 (0.38)
SCHEMBL6738695 0.78 NAMPT (0.46) CCR2NAMPTGRIN2BFAAHPGR
SCHEMBL6989155 0.78 HRH3 (0.48)
SCHEMBL6741839 0.77 MEN1 (0.38) CCR2NAMPTEPHX2PANK3

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 CCR2 3484/4885NAMPT 4702/4885GRIN2B 549/4885

“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.