SCHEMBL18860331

SCHEMBL18860331

CC(C)(C)NC(=O)CN1CCC2(CCCC2NC(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 3/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ CHRNA7 P36544 2/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ CACNA1H O95180 2/20 0.42
▸ CACNA1G O43497 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ UTS2R Q9UKP6 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL18838347 0.94 CACNA1I (0.46) CACNA1IKCNH2CHRNA7TAS1R3TAS1R2
SCHEMBL18838333 0.89 CACNA1I (0.45) CACNA1IKCNH2CHRNA7TAS1R3TAS1R2
SCHEMBL18860345 0.87 CACNA1I (0.59) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL18860280 0.87 KCNH2 (0.60) CACNA1IKCNH2CHRNA7TAS1R3TAS1R2
SCHEMBL18860274 0.85 KMT2A (0.43) CACNA1ICACNA1HCACNA1GALDH1A1LMNA
SCHEMBL18860276 0.82 CHRNA7 (0.46) CACNA1IKCNH2CHRNA7TAS1R3TAS1R2
SCHEMBL18860180 0.81 CACNA1I (0.61) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL18860178 0.81 CACNA1I (0.61) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL18838359 0.81 CACNA1I (0.61) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL18860332 0.81 KMT2A (0.54) KCNH2CHRNA7UTS2RKMT2ATSHR

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 CACNA1I 1/4885KCNH2 55/4885CHRNA7 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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