SCHEMBL26537778

SCHEMBL26537778

CC(C)(C)OC(=O)NC[C@](C)(O)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
CFTR P13569 3/20 0.33
HDAC2 Q92769 3/20 0.32
HDAC1 Q13547 2/20 0.32
CYP3A4 P08684 2/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
GRIA1 P42261 1/20 0.30
MIF P14174 1/20 0.30

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
SCHEMBL23195598 1.00 GRM2 (0.34) GRM2CFTRHDAC2HDAC1CYP3A4
SCHEMBL23905460 0.92 CFTR (0.34) GRM2CFTRHDAC2HDAC1CYP3A4
SCHEMBL23196149 0.89 GRM2 (0.38) GRM2CFTRHDAC2HDAC1PDE3B
SCHEMBL23196147 0.89 GRM2 (0.38) GRM2CFTRHDAC2HDAC1PDE3B
SCHEMBL23196044 0.85 GRM2 (0.35) GRM2CFTRHDAC2HDAC1PDE3B
SCHEMBL23196017 0.85
SCHEMBL24985735 0.85 GRM2 (0.38) GRM2CFTRHDAC2HDAC1PDE3B
SCHEMBL23195889 0.85 GRM2 (0.38) GRM2CFTRHDAC2HDAC1PDE3B
SCHEMBL31412382 0.85 GRM2 (0.38) GRM2CFTRHDAC2HDAC1PDE3B
SCHEMBL24984659 0.84

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 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 (1 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-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 GRM2 4163/4885CFTR 283/4885HDAC2 857/4885

“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.