SCHEMBL21800829

SCHEMBL21800829

CCOC(=O)C1CCCC1C(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(C(F)(F)F)ccc3Cl)CC2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 13/20 0.68
▸ SCN7A Q01118 10/20 0.68
▸ SCN5A Q14524 8/20 0.68
▸ SCN1A P35498 2/20 0.68
▸ SCN4A P35499 2/20 0.68
▸ SCN2A Q99250 2/20 0.68
▸ SCN8A Q9UQD0 2/20 0.68
▸ SCN3A Q9NY46 1/20 0.68
▸ SCN2B O60939 1/20 0.39
▸ SCN1B Q07699 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
SCHEMBL18571086 1.00 SCN9A (0.68) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL29459744 1.00 SCN9A (0.68) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL18570797 0.91 SCN9A (0.70) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL21800828 0.91 SCN9A (0.70) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL21800827 0.91 SCN9A (0.70) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL23861717 0.90 SCN9A (0.71) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL18571088 0.86 SCN9A (0.73) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL23861710 0.85 SCN9A (0.48) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL19064874 0.84 SCN9A (0.78) SCN9ASCN7ASCN5ASCN1ASCN4A
SCHEMBL23849448 0.82 SCN9A (0.65) SCN9ASCN7ASCN5ASCN1ASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-02-24 — — US disclosed
US-11130726-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-09-28 — — US disclosed
US-20200087239-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-03-19 — — 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 (3 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-11130726-B2 Therapeutic compounds and methods of use thereof RDX, C3AR1, LPXN SCN9A 1789/4885SCN7A 1281/4885SCN5A 1100/4885
US-20200087239-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C3AR1, LPXN SCN9A 1789/4885SCN7A 1281/4885SCN5A 1100/4885
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REN, RDX, MC2R SCN9A 2486/4885SCN7A 1081/4885SCN5A 1051/4885

“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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