SCHEMBL20533150

SCHEMBL20533150

CC(=O)Oc1ccc2c(c1)CCCC[C@H]2N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.54
ESR1 P03372 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
OPRM1 P35372 2/20 0.46
PGR P06401 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
AR P10275 2/20 0.46
CHRM1 P11229 2/20 0.46
SLC6A3 Q01959 2/20 0.46
LMNA P02545 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
ATM Q13315 1/20 0.46
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
OPRD1 P41143 1/20 0.43
AKR1C3 P42330 1/20 0.43
CHRM2 P08172 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL9403377 0.86 PGR (0.50) ACHEESR1SMN1; SMN2OPRM1PGR
SCHEMBL9403350 0.78 OPRM1 (0.56) ACHEESR1SMN1; SMN2OPRM1PGR
Acetic Acid SCHEMBL20533151 0.77 ESR1 (0.50) ACHEESR1OPRD1
Acetic Acid SCHEMBL20533149 0.77 ESR1 (0.50) ACHEESR1OPRD1
SCHEMBL9261533 0.77 ALOX15 (0.56) ESR1SMN1; SMN2PGRADORA3AR
SCHEMBL267052 0.76 DRD2 (0.51) ACHE
SCHEMBL1565115 0.76 DRD2 (0.51) ACHE
SCHEMBL3295841 0.75 ACHE (0.61) ACHE
Hydrochloric Acid SCHEMBL10357354 0.75 DRD2 (0.50)
SCHEMBL14272024 0.74 ACHE (0.47) ACHEESR1KDM4E

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
US-20180297992-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-10-18 US disclosed
WO-2018191577-A1 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2018-10-18 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 (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 ACHE 4632/4885ESR1 4163/4885SMN1; SMN2 1634/4885
US-10961237-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN ACHE 4632/4885ESR1 4163/4885SMN1; SMN2 1634/4885
US-20210340135-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ACHE 4632/4885ESR1 4163/4885SMN1; SMN2 1634/4885
US-20180362522-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ACHE 4632/4885ESR1 4163/4885SMN1; SMN2 1634/4885
US-20200239459-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ACHE 4632/4885ESR1 4163/4885SMN1; SMN2 1634/4885
US-11427577-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN ACHE 4632/4885ESR1 4163/4885SMN1; SMN2 1634/4885
US-20180297992-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ACHE 4632/4885ESR1 4163/4885SMN1; SMN2 1634/4885
US-10189829-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN ACHE 4632/4885ESR1 4163/4885SMN1; SMN2 1634/4885
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase ABL1, BTK, LYN ACHE 4632/4885ESR1 4163/4885SMN1; SMN2 1634/4885
US-20230147490-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ACHE 4632/4885ESR1 4163/4885SMN1; SMN2 1634/4885

“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.