SCHEMBL20533124

SCHEMBL20533124

CC(N[C@@H]1CCCCc2cc(O)ccc21)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ESR1 P03372 6/20 0.44
ESR2 Q92731 6/20 0.44
HSD17B1 P14061 1/20 0.43
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
SCN3A Q9NY46 1/20 0.40
NPY1R P25929 1/20 0.38

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
SCHEMBL20533125 1.00 GAA (0.48) GAAL3MBTL1ESR1ESR2HSD17B1
SCHEMBL20533123 1.00 GAA (0.48) GAAL3MBTL1ESR1ESR2HSD17B1
SCHEMBL8702866 0.74 CYP2D6 (0.47) GAAL3MBTL1CYP2D6KCNH2ALDH1A1
Bromide SCHEMBL7562224 0.74 GAA (0.54) GAAL3MBTL1HSD17B1CYP2D6KCNH2
SCHEMBL3678499 0.74 PDPK1 (0.57) GAAL3MBTL1CYP2D6KCNH2ALDH1A1
SCHEMBL3678496 0.74 PDPK1 (0.57) GAAL3MBTL1CYP2D6KCNH2ALDH1A1
SCHEMBL1858738 0.73 GAA (0.42) GAAL3MBTL1CYP2D6KCNH2LMNA
SCHEMBL1858737 0.73 GAA (0.42) GAAL3MBTL1CYP2D6KCNH2LMNA
SCHEMBL1858736 0.73 GAA (0.42) GAAL3MBTL1CYP2D6KCNH2LMNA
SCHEMBL20532720 0.73 TAS1R3 (0.51) ESR1ESR2LMNATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609886-B1 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2024-02-07 EP disclosed
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase BIOGEN MA INC. (US) 2024-01-02 US disclosed
EP-4249071-A2 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2023-09-27 EP disclosed
US-20230147490-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-05-11 US disclosed
US-11427577-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2022-08-30 US disclosed
US-20210340135-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2021-11-04 US disclosed
US-10961237-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2021-03-30 US disclosed
US-20200239459-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2020-07-30 US disclosed
EP-3609886-A1 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2020-02-19 EP disclosed
US-10227341-B2 Inhibiting agents for bruton's tyrosine kinase BIOGEN MA INC. (US) 2019-03-12 US disclosed
US-10189829-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2019-01-29 US disclosed
US-20180362522-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-12-20 US disclosed
WO-2018191577-A1 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2018-10-18 WO disclosed
US-20180297992-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-10-18 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 (10 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-10227341-B2 Inhibiting agents for bruton's tyrosine kinase ABL1, BTK, LYN GAA 951/4885L3MBTL1 1858/4885ESR1 4163/4885
US-10961237-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN GAA 951/4885L3MBTL1 1858/4885ESR1 4163/4885
US-20210340135-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN GAA 951/4885L3MBTL1 1858/4885ESR1 4163/4885
US-20180362522-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN GAA 951/4885L3MBTL1 1858/4885ESR1 4163/4885
US-20200239459-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN GAA 951/4885L3MBTL1 1858/4885ESR1 4163/4885
US-11427577-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN GAA 951/4885L3MBTL1 1858/4885ESR1 4163/4885
US-20180297992-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN GAA 951/4885L3MBTL1 1858/4885ESR1 4163/4885
US-10189829-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN GAA 951/4885L3MBTL1 1858/4885ESR1 4163/4885
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase ABL1, BTK, LYN GAA 951/4885L3MBTL1 1858/4885ESR1 4163/4885
US-20230147490-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN GAA 951/4885L3MBTL1 1858/4885ESR1 4163/4885

“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.