SCHEMBL22473530

SCHEMBL22473530

CC(C)(C)N1CC[C@@H](C(F)(F)F)C[C@@H]1c1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
RIPK1 Q13546 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PRKCZ Q05513 1/20 0.33
SCN9A Q15858 5/20 0.33
KDM1A O60341 3/20 0.32
MAOB P27338 1/20 0.32
SLC6A9 P48067 3/20 0.31

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
SCHEMBL22473314 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BRIPK1NR1H2
SCHEMBL23491497 0.90 HTR2A (0.34) HTR2AHTR2CHTR2BRIPK1NR1H2
SCHEMBL22473529 0.85 SCN9A (0.38) NR1H2NR1H3SCN9A
SCHEMBL22473533 0.85 SCN9A (0.38) NR1H2NR1H3SCN9A
SCHEMBL22473316 0.85 SCN9A (0.38) NR1H2NR1H3SCN9A
SCHEMBL22473175 0.80 RIPK1 (0.40) RIPK1NR1H2NR1H3SCN9A
SCHEMBL22473186 0.80 RIPK1 (0.40) RIPK1NR1H2NR1H3SCN9A
SCHEMBL22473188 0.80 RIPK1 (0.40) RIPK1NR1H2NR1H3SCN9A
SCHEMBL23491495 0.80 GRIA4 (0.33) HTR2AHTR2CHTR2BRIPK1KDM1A
SCHEMBL22473243 0.74 OPRM1 (0.42)

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 HTR2A 2503/4885HTR2C 3643/4885HTR2B 671/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB HTR2A 2503/4885HTR2C 3643/4885HTR2B 671/4885

“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.