SCHEMBL22473529

SCHEMBL22473529

CC(C)(C)N1CCC(C(F)(F)F)CC1c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.38
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
TRPA1 O75762 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
SCHEMBL22473533 1.00 SCN9A (0.38) SCN9ANR1H2NR1H3TRPA1
SCHEMBL22473316 1.00 SCN9A (0.38) SCN9ANR1H2NR1H3TRPA1
SCHEMBL22473158 0.87 PRKCZ (0.36) TRPA1
SCHEMBL22473162 0.87 PRKCZ (0.36) TRPA1
SCHEMBL22473186 0.87 RIPK1 (0.40) SCN9ANR1H2NR1H3
SCHEMBL22473175 0.87 RIPK1 (0.40) SCN9ANR1H2NR1H3
SCHEMBL22473188 0.87 RIPK1 (0.40) SCN9ANR1H2NR1H3
SCHEMBL22473530 0.85 HTR2A (0.35) SCN9ANR1H2NR1H3
SCHEMBL22473314 0.85 HTR2A (0.35) SCN9ANR1H2NR1H3
SCHEMBL23491491 0.79 CFB (0.37) TRPA1

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-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 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-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB SCN9A 256/4885NR1H2 593/4885NR1H3 370/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB SCN9A 256/4885NR1H2 593/4885NR1H3 370/4885

“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.