SCHEMBL22473243

SCHEMBL22473243

CC(C)(C)N1CC[C@@H](C(F)(F)F)C[C@H]1c1cccc(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.42
OPRD1 P41143 14/20 0.42
CFB P00751 1/20 0.41
PARP1 P09874 1/20 0.41
MLYCD O95822 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL22473175 0.79 RIPK1 (0.40)
SCHEMBL22473188 0.79 RIPK1 (0.40)
SCHEMBL22473186 0.79 RIPK1 (0.40)
SCHEMBL22473530 0.74 HTR2A (0.35)
SCHEMBL22473314 0.74 HTR2A (0.35)
SCHEMBL22473316 0.72 SCN9A (0.38)
SCHEMBL22473529 0.72 SCN9A (0.38)
SCHEMBL22473533 0.72 SCN9A (0.38)
SCHEMBL23492615 0.71 RIPK1 (0.40) HRH3
SCHEMBL29013249 0.70 PARP1 (0.51) OPRM1OPRD1CFBPARP1HRH3

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 OPRM1 1876/4885OPRD1 1621/4885CFB 47/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB OPRM1 1876/4885OPRD1 1621/4885CFB 47/4885

“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.