SCHEMBL18838355

SCHEMBL18838355

CC(C)(C)CCN1CCC2(CC1)CC2NC(=O)c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.44
▸ CACNA1I Q9P0X4 2/20 0.44
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ CHRM3 P20309 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ CCR5 P51681 1/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ VNN1 O95497 1/20 0.38
▸ GPR139 Q6DWJ6 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ GRM5 P41594 2/20 0.38

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 1.00 KCNH2 (0.44) KCNH2CACNA1IOPRM1OPRD1OPRK1
SCHEMBL18859676 0.90 KCNH2 (0.44) KCNH2CACNA1INAMPTDRD2DRD3
SCHEMBL18838392 0.85 KCNH2 (0.61) KCNH2CACNA1IL3MBTL1GRM5
SCHEMBL29363863 0.85 KCNH2 (0.61) KCNH2CACNA1IL3MBTL1GRM5
SCHEMBL18838368 0.85 CARM1 (0.46) KCNH2CACNA1IOPRM1
SCHEMBL18838388 0.84 KCNH2 (0.46) KCNH2CACNA1IOPRM1OPRD1OPRK1
SCHEMBL18838353 0.83 KCNH2 (0.48) KCNH2CACNA1IOPRM1
SCHEMBL29364658 0.80 KCNH2 (0.60) KCNH2CACNA1IOPRM1OPRD1OPRK1
SCHEMBL18838420 0.80 KCNH2 (0.60) KCNH2CACNA1IOPRM1OPRD1OPRK1
SCHEMBL18838485 0.79 KCNH2 (0.47) KCNH2CACNA1INAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3340988-B1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI INC (US) 2025-04-09 — — EP disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 — — US disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 — — US disclosed
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses AFASCI, INC. (US) 2018-11-01 — — US disclosed
EP-3340988-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES Afasci, Inc. (US) 2018-07-04 — — EP disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 — — WO 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 (2 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 1/4885OPRM1 369/4885
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses CACNA1I, CACNA1G, CACNA1H KCNH2 55/4885CACNA1I 1/4885OPRM1 369/4885

“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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