SCHEMBL21594070

SCHEMBL21594070

COc1cc(C(C)O)c(CCNC(=O)OC(C)(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.42
MTNR1A P48039 3/20 0.42
NQO2 P16083 1/20 0.42
AAK1 Q2M2I8 1/20 0.39
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GFER P55789 1/20 0.37
DYRK1A Q13627 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
IDO1 P14902 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL23854682 0.92 MTNR1B (0.45) MTNR1BMTNR1ANQO2AAK1HTT
SCHEMBL21591738 0.85 NQO2 (0.40) MTNR1BMTNR1ANQO2AAK1HTT
SCHEMBL21591747 0.81 MTNR1B (0.46) MTNR1BMTNR1ANQO2AAK1HTT
SCHEMBL23854684 0.80 MTNR1B (0.46) MTNR1BMTNR1ANQO2HTTNPSR1
SCHEMBL21594080 0.79 MTNR1A (0.36) MTNR1BMTNR1ANQO2AAK1HTT
SCHEMBL29872603 0.79 MTNR1A (0.36) MTNR1BMTNR1ANQO2AAK1HTT
SCHEMBL23854724 0.79 MTNR1B (0.48) MTNR1BMTNR1ANQO2HTTNPSR1
SCHEMBL30570606 0.79 MTNR1B (0.48) MTNR1BMTNR1ANQO2HTTNPSR1
SCHEMBL31568942 0.78 IDO1 (0.46) NQO2HTTNPSR1ALDH1A1GFER
SCHEMBL21591739 0.76 MTNR1B (0.41) MTNR1BMTNR1ANQO2HTTNPSR1

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 10 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
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-20230219959-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-07-13 US disclosed
CN-114728976-A HYDRO-1H-PYRROLO [1,2-A ] PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 豪夫迈·罗氏有限公司 2022-07-08 CN 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-2021099284-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 WO disclosed
WO-2021099284-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 MTNR1B 2298/4885MTNR1A 2976/4885NQO2 211/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 MTNR1B 2640/4885MTNR1A 3390/4885NQO2 292/4885
US-20230219959-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE AQP1, HRH2, HRH1 MTNR1B 1234/4885MTNR1A 1144/4885NQO2 29/4885

“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.