SCHEMBL18859676

SCHEMBL18859676

CC(C)(C)CCN1CCC2(CC1)CC2NC(=O)c1cc(C#N)cc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.44
▸ CACNA1I Q9P0X4 9/20 0.41
▸ CACNA1H O95180 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMYD2 Q9NRG4 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ CACNA1G O43497 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ KCNA3 P22001 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 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
SCHEMBL29361679 0.90 KCNH2 (0.44) KCNH2CACNA1INAMPTDRD2DRD3
SCHEMBL18838355 0.90 KCNH2 (0.44) KCNH2CACNA1INAMPTDRD2DRD3
SCHEMBL18838491 0.86 MAPT (0.46) KCNH2CACNA1IPOLB
SCHEMBL18838485 0.85 KCNH2 (0.47) KCNH2CACNA1ICACNA1HPOLBNAMPT
SCHEMBL18838415 0.84 CACNA1I (0.46) KCNH2CACNA1ICACNA1HNAMPTHRH1
SCHEMBL18838325 0.84 KCNH2 (0.62) KCNH2CACNA1ICACNA1HHRH1CACNA1G
SCHEMBL18838444 0.82 KCNH2 (0.60) KCNH2CACNA1ICACNA1HNAMPTHRH1
SCHEMBL18838424 0.82 KCNH2 (0.60) KCNH2CACNA1ICACNA1HNAMPTHRH1
SCHEMBL29364774 0.82 KCNH2 (0.60) KCNH2CACNA1ICACNA1HNAMPTHRH1
SCHEMBL18838423 0.82 KCNH2 (0.60) KCNH2CACNA1ICACNA1HNAMPTHRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 — — US disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 — — 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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H KCNH2 55/4885CACNA1I 1/4885CACNA1H 3/4885

“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.

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