SCHEMBL22304643

SCHEMBL22304643

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(-c2ccc(F)cc2)c(F)c1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.40
PRKCZ Q05513 1/20 0.36
HDAC2 Q92769 7/20 0.34
HDAC1 Q13547 6/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SSTR4 P31391 1/20 0.32
PTGS1 P23219 3/20 0.32
IKBKB O14920 2/20 0.32
CHUK O15111 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
APP P05067 1/20 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
SCHEMBL18147754 0.75 KEAP1 (0.37) GRM2HDAC2HDAC1
SCHEMBL20367018 0.75 HDAC2 (0.59) HDAC2HDAC1
SCHEMBL20251269 0.73 NR1H2 (0.36) GRM2PRKCZSLC22A12APP
SCHEMBL18146317 0.70 NR1H2 (0.37) GRM2SSTR4APP
SCHEMBL18147566 0.70 SSTR4 (0.33) SSTR4
SCHEMBL18147624 0.70 RIPK1 (0.33) GRM2HDAC2HDAC1
SCHEMBL17689154 0.69 RIPK1 (0.38) SLC6A4APP
SCHEMBL31144653 0.68 PTGDR2 (0.41) PRKCZ
SCHEMBL3784941 0.68 BRD4 (0.35) GRM2
SCHEMBL18147567 0.68 SSTR4 (0.31) SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-09-09 US disclosed
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2021-02-16 US disclosed
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-08-06 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 (4 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-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 GRM2 461/4885PRKCZ 2873/4885HDAC2 1/4885
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 GRM2 461/4885PRKCZ 2873/4885HDAC2 1/4885
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 GRM2 461/4885PRKCZ 2873/4885HDAC2 1/4885
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 GRM2 461/4885PRKCZ 2873/4885HDAC2 1/4885

“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.