SCHEMBL18838451

SCHEMBL18838451

O=C(NC1CC12CCN(CC(O)c1ccc(C(F)(F)F)cc1)CC2)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.45
▸ GRIN2B Q13224 1/20 0.41
▸ CACNA1I Q9P0X4 3/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CCR3 P51677 2/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL20547227 0.95 KCNH2 (0.41) KCNH2GRIN2BCACNA1ISCN1ASCN5A
SCHEMBL18860324 0.95 KCNH2 (0.41) KCNH2GRIN2BCACNA1ISCN1ASCN5A
SCHEMBL29364231 0.95 KCNH2 (0.41) KCNH2GRIN2BCACNA1ISCN1ASCN5A
SCHEMBL18838264 0.95 KCNH2 (0.41) KCNH2GRIN2BCACNA1ISCN1ASCN5A
SCHEMBL18860319 0.95 KCNH2 (0.41) KCNH2GRIN2BCACNA1ISCN1ASCN5A
SCHEMBL29365162 0.95 KCNH2 (0.41) KCNH2GRIN2BCACNA1ISCN1ASCN5A
SCHEMBL18859673 0.86 GRIN2B (0.43) GRIN2BCACNA1ISCN9AIGF1RCYP3A4
SCHEMBL29363965 0.86 GRIN2B (0.43) GRIN2BCACNA1ISCN9AIGF1RCYP3A4
SCHEMBL18859624 0.86 GRIN2B (0.43) GRIN2BCACNA1ISCN9AIGF1RCYP3A4
SCHEMBL18838475 0.86 GRIN2B (0.43) GRIN2BCACNA1ISCN9AIGF1RCYP3A4

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 8 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
CN-108289886-B Ion channel inhibiting compounds, pharmaceutical formulations and uses 安华赛公司 2022-01-28 — — CN 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 55/4885GRIN2B 167/4885CACNA1I 1/4885
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses CACNA1I, CACNA1G, CACNA1H KCNH2 55/4885GRIN2B 167/4885CACNA1I 1/4885

“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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