SCHEMBL23854699

SCHEMBL23854699

C=C(OCC)c1cnc(OC)cc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.41
MTNR1A P48039 2/20 0.41
NQO2 P16083 1/20 0.41
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
MAPT P10636 2/20 0.36
NNMT P40261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLA P06280 2/20 0.36
POLB P06746 1/20 0.36
PTPRB P23467 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
TP53 P04637 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
SCHEMBL23854724 0.85 MTNR1B (0.48) MTNR1BMTNR1ANQO2ALDH1A1MAPT
SCHEMBL30570606 0.85 MTNR1B (0.48) MTNR1BMTNR1ANQO2ALDH1A1MAPT
SCHEMBL31569008 0.80 NQO2 (0.39) NQO2DYRK1AALDH1A1ADORA3ADORA2A
SCHEMBL23854684 0.79 MTNR1B (0.46) MTNR1BMTNR1ANQO2ALDH1A1MAPT
SCHEMBL28517134 0.78 MTNR1A (0.41) MTNR1BMTNR1ANQO2DYRK1AALDH1A1
SCHEMBL21591747 0.78 MTNR1B (0.46) MTNR1BMTNR1ANQO2DYRK1AALDH1A1
SCHEMBL23854682 0.77 MTNR1B (0.45) MTNR1BMTNR1ANQO2ALDH1A1MAPT
SCHEMBL21591739 0.75 MTNR1B (0.41) MTNR1BMTNR1ANQO2DYRK1AALDH1A1
SCHEMBL21633725 0.74 NQO2 (0.44) MTNR1BNQO2ALDH1A1MAPTTDP1
SCHEMBL31528229 0.74 NQO2 (0.44) MTNR1BNQO2ALDH1A1MAPTTDP1

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 7 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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US 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

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-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

“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.