SCHEMBL8031445

SCHEMBL8031445

CCCCC1(CC)CSc2cc(OC)c(Br)cc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.38
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ACHE P22303 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.30

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
SCHEMBL29383802 1.00 PTPN1 (0.38) PTPN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29381681 0.95 PTPN1 (0.39) PTPN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29728473 0.93 PTPN1 (0.34) PTPN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22286617 0.93 PTPN1 (0.34) PTPN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30423859 0.91 PTPN1 (0.37) PTPN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21586009 0.91 PTPN1 (0.37) PTPN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21586026 0.86 SLC10A2 (0.31) KMT2A
SCHEMBL21585955 0.86 LMNA (0.34) ALDH1A1KMT2A
SCHEMBL22286614 0.85 PTPN1 (0.38) PTPN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29694593 0.85 PTPN1 (0.38) PTPN1GRIN2DGRIN3BGRIN1GRIN2A

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188541-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-12-25 EP disclosed
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US disclosed
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US disclosed
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US disclosed
CN-112449637-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-03-19 CN disclosed
US-11891368-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-02-06 US disclosed
EP-4069361-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-01-03 EP disclosed
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 US disclosed
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 US disclosed
US-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2023-10-03 US disclosed
US-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2020-10-06 US disclosed
WO-2020161216-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-13 WO disclosed
WO-2020161216-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-13 WO disclosed
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-06 US disclosed
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-06 US disclosed
WO-2019234077-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2019-12-12 WO disclosed
WO-2019234077-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2019-12-12 WO disclosed
EP-0792268-B1 HYPOLIPIDEMIC BENZOTHIAZEPINES WELLCOME FOUND (GB) 2000-02-23 EP disclosed
US-5998400-A Hypolipidemic benzothiazepines GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
WO-1996016051-A1 HYPOLIPIDEMIC BENZOTHIAZEPINES THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-30 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 (5 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-11773071-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 PTPN1 2497/4885GRIN2D 1069/4885GRIN3B 970/4885
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 PTPN1 2497/4885GRIN2D 1069/4885GRIN3B 970/4885
US-10793534-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 PTPN1 1730/4885GRIN2D 994/4885GRIN3B 1344/4885
US-20200247768-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 PTPN1 2497/4885GRIN2D 1069/4885GRIN3B 970/4885
US-11891368-B2 Benzothia(di)azepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 PTPN1 1776/4885GRIN2D 1035/4885GRIN3B 1143/4885

“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.