SCHEMBL7033716

SCHEMBL7033716

CNC(=O)NC(COc1ccc(C#N)cc1)CN1CC2CC(C1)CN(c1nccs1)C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
KCNA5 P22460 2/20 0.38
GRIN1 Q05586 4/20 0.35
GRIN2B Q13224 4/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
AOC3 Q16853 1/20 0.33
ACACB O00763 1/20 0.33
AGER Q15109 1/20 0.33

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
SCHEMBL7034791 0.83 KDM4E (0.47) KCNH2GRIN1GRIN2BMEN1KMT2A
SCHEMBL7036599 0.82 SIGMAR1 (0.43) KCNH2GRIN1GRIN2BMEN1KMT2A
SCHEMBL7030606 0.81 KCNH2 (0.42) KCNH2GRIN1GRIN2BMEN1KMT2A
SCHEMBL7033619 0.80 KCNH2 (0.39) KCNH2KCNA5GRIN1GRIN2BMEN1
SCHEMBL7089730 0.80 KCNA5 (0.36) KCNH2KCNA5GRIN1GRIN2BMEN1
SCHEMBL7034662 0.79 KCNH2 (0.42) KCNH2KCNA5MEN1MMP2MMP3
SCHEMBL7030390 0.78 KCNH2 (0.43) KCNH2GRIN1GRIN2BMEN1MMP2
SCHEMBL7034139 0.77 EPHX2 (0.45) KCNH2KCNA5MEN1
SCHEMBL7035992 0.76 KCNA5 (0.48) KCNA5MEN1KMT2A
SCHEMBL7034656 0.75 MCHR1 (0.47) KCNH2DPP4MMP2

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 KCNH2 7/4885KCNA5 79/4885GRIN1 456/4885

“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.