SCHEMBL7028488

SCHEMBL7028488

N#Cc1ccc(C(=O)NCCN2CC3CC(C2)CN(CCNC(=O)c2ccc(C#N)cc2)C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.61
CCR3 P51677 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
DPP4 P27487 3/20 0.49
EPHX2 P34913 1/20 0.49
HDAC4 P56524 1/20 0.48
NAMPT P43490 2/20 0.48
CHRM4 P08173 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EGLN2 Q96KS0 1/20 0.45
DRD3 P35462 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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) CD274CCR3MKNK1MKNK2DPP4
SCHEMBL7033543 0.83 CCR3 (0.48) CD274CCR3MKNK1MKNK2DPP4
SCHEMBL7027153 0.83 CCR3 (0.48) CD274CCR3MKNK1MKNK2DPP4
SCHEMBL6995882 0.83 DRD3 (0.52) CD274CCR3MKNK1MKNK2DPP4
SCHEMBL6997557 0.83 CCR3 (0.48) CD274CCR3MKNK1MKNK2DPP4
SCHEMBL6995153 0.82 CCR3 (0.52) CCR3EPHX2CHRM4
SCHEMBL7036069 0.82 KCNH2 (0.52) CD274MKNK1MKNK2DRD3ALDH1A1
SCHEMBL5318392 0.82 CD274 (0.58) CD274CCR3MKNK1MKNK2DPP4
SCHEMBL5317499 0.80 CD274 (0.56) CD274CCR3MKNK1MKNK2DPP4
SCHEMBL5316471 0.80 CD274 (0.56) CD274CCR3MKNK1MKNK2DPP4

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 1 patent. 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

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 CD274 3866/4885CCR3 4291/4885MKNK1 3025/4885

“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.