SCHEMBL6997557

SCHEMBL6997557

CC(C#N)CN1CC2CC(CN(CCCNC(=O)c3ccc(C#N)cc3)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.48
LMNA P02545 2/20 0.47
DRD3 P35462 7/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CD274 Q9NZQ7 1/20 0.44
NAMPT P43490 2/20 0.44
DPP4 P27487 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 4/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL6996059 0.84 CCR3 (0.49) CCR3LMNADRD3MKNK1MKNK2
SCHEMBL7028488 0.83 CD274 (0.61) CCR3DRD3MKNK1MKNK2CD274
SCHEMBL7027153 0.82 CCR3 (0.48) CCR3LMNADRD3MKNK1MKNK2
SCHEMBL6995882 0.82 DRD3 (0.52) CCR3DRD3MKNK1MKNK2CD274
SCHEMBL7033543 0.82 CCR3 (0.48) CCR3LMNADRD3MKNK1MKNK2
SCHEMBL6995153 0.79 CCR3 (0.52) CCR3LMNAEPHX2
SCHEMBL6995646 0.77 DRD3 (0.56) CCR3LMNADRD3TMEM97GAA
SCHEMBL7034768 0.76 MKNK1 (0.46) CCR3DRD3MKNK1MKNK2CD274
SCHEMBL7030302 0.75 ALDH1A1 (0.48) CCR3LMNADRD3MKNK1MKNK2
SCHEMBL5481652 0.73 NAMPT (0.66) CCR3LMNADRD3MKNK1MKNK2

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 CCR3 4291/4885LMNA 837/4885DRD3 51/4885

“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.