SCHEMBL18860280

SCHEMBL18860280

CC(C)(C)CCN1CCC2(CCCC2NC(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.60
▸ CACNA1I Q9P0X4 3/20 0.60
▸ CHRNA7 P36544 2/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ UTS2R Q9UKP6 5/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ AGTR1 P30556 1/20 0.39

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
SCHEMBL29363882 0.94 KCNH2 (0.62) KCNH2CACNA1ICHRNA7TAS1R3TAS1R2
SCHEMBL18838393 0.94 KCNH2 (0.62) KCNH2CACNA1ICHRNA7TAS1R3TAS1R2
SCHEMBL29364658 0.89 KCNH2 (0.60) KCNH2CACNA1ICHRNA7TAS1R3TAS1R2
SCHEMBL18838420 0.89 KCNH2 (0.60) KCNH2CACNA1ICHRNA7TAS1R3TAS1R2
SCHEMBL18860337 0.87 KCNH2 (0.59) KCNH2CACNA1ICYP2D6
SCHEMBL18860331 0.87 CACNA1I (0.45) KCNH2CACNA1ICHRNA7TAS1R3TAS1R2
SCHEMBL18860279 0.85 CARM1 (0.46) KCNH2CACNA1IKMT2A
SCHEMBL18860276 0.84 CHRNA7 (0.46) KCNH2CACNA1ICHRNA7TAS1R3TAS1R2
SCHEMBL18860277 0.83 DRD4 (0.51) KCNH2CHRNA7UTS2RKMT2A
SCHEMBL18860332 0.82 KMT2A (0.54) KCNH2CHRNA7UTS2RCYP2D6KMT2A

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 1/4885CHRNA7 202/4885

“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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