SCHEMBL21591715

SCHEMBL21591715

CC(C)(C)OC(=O)N1CC(=O)c2cc(Br)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
HDAC1 Q13547 1/20 0.48
NR1H2 P55055 1/20 0.47
ABHD6 Q9BV23 3/20 0.45
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
MAPK1 P28482 1/20 0.44
USP30 Q70CQ3 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA6 Q16445 1/20 0.40
NAMPT P43490 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL30644262 0.90 HDAC1 (0.46) ESR2HDAC1NR1H2ABHD6DDB1
SCHEMBL27004790 0.88 ESR2 (0.62) ESR2HDAC1NR1H2ABHD6DDB1
SCHEMBL30951607 0.85 ABHD6 (0.60) ESR2HDAC1NR1H2ABHD6DDB1
SCHEMBL330056 0.85 ABHD6 (0.60) ESR2HDAC1NR1H2ABHD6DDB1
SCHEMBL17369316 0.84 ESR2 (0.48) ESR2HDAC1NR1H2DDB1CRBN
SCHEMBL29813840 0.81 MAPK1 (0.54) ESR2HDAC1NR1H2DDB1CRBN
SCHEMBL17369314 0.81 MAPK1 (0.54) ESR2HDAC1NR1H2DDB1CRBN
SCHEMBL21470729 0.80 ESR2 (0.62) ESR2HDAC1NR1H2ABHD6DDB1
SCHEMBL17141692 0.80 PIK3CA (0.46) ESR2HDAC1NR1H2ABHD6DDB1
SCHEMBL21591709 0.79 ABHD6 (0.40) ABHD6NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
CN-115484948-A Compound and use thereof 福宏治疗公司 2022-12-16 CN disclosed
EP-4096657-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2022-12-07 EP disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
WO-2021155316-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
US-20170022262-A1 CRYSTALLINE INSULIN-CONJUGATES SMARTCELLS, INC. (US) 2017-01-26 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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ESR2 1378/4885HDAC1 242/4885NR1H2 1847/4885
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 ESR2 3389/4885HDAC1 36/4885NR1H2 784/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 ESR2 3865/4885HDAC1 41/4885NR1H2 759/4885
US-20170022262-A1 CRYSTALLINE INSULIN-CONJUGATES IAPP, INSR, GPR119 ESR2 3018/4885HDAC1 3032/4885NR1H2 1727/4885

“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.