SCHEMBL21294902

SCHEMBL21294902

CN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)CC[C@@H]1NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
SLC6A3 Q01959 12/20 0.41
SLC6A4 P31645 11/20 0.41
SLC6A2 P23975 7/20 0.41

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
SCHEMBL29481995 0.84 SCN9A (0.44) SCN9ASLC6A3SLC6A4
SCHEMBL28494276 0.84 SCN9A (0.44) SCN9ASLC6A3SLC6A4
SCHEMBL21294958 0.81 SCN9A (0.44) SCN9A
SCHEMBL21294659 0.80 SCN9A (0.45) SCN9A
SCHEMBL21294672 0.79 SCN9A (0.47) SCN9A
SCHEMBL21294786 0.77 SCN9A (0.50) SCN9A
SCHEMBL21294673 0.75 SLC6A2 (0.43) SCN9ASLC6A3SLC6A4SLC6A2
SCHEMBL735534 0.71 SLC6A4 (0.49) SLC6A3SLC6A4SLC6A2
SCHEMBL23639056 0.71 SCN9A (0.43) SCN9ASLC6A3SLC6A4SLC6A2
SCHEMBL21294750 0.70 SLC6A2 (0.49) SLC6A3SLC6A4SLC6A2

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-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 SCN9A 2136/4885SLC6A3 210/4885SLC6A4 279/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 SCN9A 90/4885SLC6A3 230/4885SLC6A4 141/4885

“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.