SCHEMBL20547192

SCHEMBL20547192

O=C(N[C@H]1CC12CCN(C(=O)O)CC2)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.41
▸ CCKBR P32239 8/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ GRN P28799 2/20 0.39
▸ SORT1 Q99523 2/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL18838283 1.00 SCN9A (0.41) SCN9ACCKBRP2RX7GRNSORT1
SCHEMBL18838271 1.00 SCN9A (0.41) SCN9ACCKBRP2RX7GRNSORT1
SCHEMBL18838511 0.92 TAS1R3 (0.46) SCN9ACCKBRCACNA1ICACNA1H
SCHEMBL18838313 0.92 TAS1R3 (0.46) SCN9ACCKBRCACNA1ICACNA1H
SCHEMBL18838273 0.86 CCKBR (0.42) CCKBRP2RX7CACNA1HCYP2D6KCNH2
SCHEMBL18838286 0.86 CCKBR (0.42) CCKBRP2RX7CACNA1HCYP2D6KCNH2
SCHEMBL18838396 0.81 KCNH2 (0.48) CACNA1ICYP2D6KCNH2
SCHEMBL18860226 0.80 ENPP2 (0.47) —
SCHEMBL28678612 0.80 ENPP2 (0.47) —
SCHEMBL18838494 0.80 ENPP2 (0.47) —

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
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses AFASCI, INC. (US) 2018-11-01 — — US 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 SCN9A 115/4885CCKBR 989/4885P2RX7 233/4885
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses CACNA1I, CACNA1G, CACNA1H SCN9A 115/4885CCKBR 989/4885P2RX7 233/4885

“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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