SCHEMBL2013725

SCHEMBL2013725

CC(C)(C)OC(=O)n1cc(CO)c2ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
HTR6 P50406 1/20 0.46
EPHX1 P07099 1/20 0.42
PDE10A Q9Y233 1/20 0.39
ADAM17 P78536 1/20 0.36
USP30 Q70CQ3 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
BACE1 P56817 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM1 P11309 1/20 0.34
MARK3 P27448 1/20 0.34

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
SCHEMBL29378976 1.00 L3MBTL1 (0.51) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL26672944 0.90 HTR6 (0.50) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL23218891 0.90 HTR6 (0.55) L3MBTL1HTR6EPHX1PDE10ACCNB2
SCHEMBL29591721 0.90 HTR6 (0.55) L3MBTL1HTR6EPHX1PDE10ACCNB2
SCHEMBL16727042 0.89 L3MBTL1 (0.47) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL22919485 0.86 L3MBTL1 (0.55) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL29352824 0.85 L3MBTL1 (0.45) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL29077852 0.85 HTR6 (0.48) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL15777230 0.85 L3MBTL1 (0.45) L3MBTL1HTR6EPHX1PDE10AADAM17
SCHEMBL26683954 0.85 L3MBTL1 (0.56) L3MBTL1HTR6EPHX1PDE10AADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-20230115176-A1 Complement Modulators and Related Methods RA PHARMACEUTICALS, INC. 2023-04-13 US disclosed
EP-3947352-A1 COMPLEMENT MODULATORS AND RELATED METHODS RA Pharmaceuticals, Inc. (US) 2022-02-09 EP disclosed
WO-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 WO disclosed
WO-2020205501-A1 COMPLEMENT MODULATORS AND RELATED METHODS RA PHARMACEUTICALS, INC. (US) 2020-10-08 WO disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 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 (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-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY S1PR1, S1PR3, S1PR2 L3MBTL1 2587/4885HTR6 452/4885EPHX1 1872/4885
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 L3MBTL1 3162/4885HTR6 4613/4885EPHX1 1101/4885
US-20230115176-A1 Complement Modulators and Related Methods C5, C9, C1QBP L3MBTL1 2398/4885HTR6 2589/4885EPHX1 1320/4885

“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.