SCHEMBL18571102

SCHEMBL18571102

O=C(O)[C@H]1CCC[C@@H]1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.69
SCN5A Q14524 10/20 0.61
SCN7A Q01118 5/20 0.61
SCN2B O60939 1/20 0.59
SCN1A P35498 1/20 0.59
SCN4A P35499 1/20 0.59
SCN1B Q07699 1/20 0.59
SCN2A Q99250 1/20 0.59
SCN8A Q9UQD0 1/20 0.59

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
SCHEMBL18571050 1.00 SCN9A (0.69) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21800824 0.98 SCN9A (0.69) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL18571118 0.98 SCN9A (0.69) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL21800825 0.98 SCN9A (0.69) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL18570781 0.97 SCN9A (0.73) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL18571116 0.89 SCN9A (0.66) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL23861692 0.89 SCN9A (0.68) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL18571441 0.88 SCN9A (0.63) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL18570785 0.88 SCN9A (0.74) SCN9ASCN5ASCN7ASCN2BSCN1A
SCHEMBL19075676 0.87 SCN9A (0.66) SCN9ASCN5ASCN7ASCN2BSCN1A

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
WO-2017035271-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-02 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-11130726-B2 Therapeutic compounds and methods of use thereof RDX, C3AR1, LPXN SCN9A 1789/4885SCN5A 1100/4885SCN7A 1281/4885
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REN, RDX, MC2R SCN9A 2486/4885SCN5A 1051/4885SCN7A 1081/4885

“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.