SCHEMBL23375155

SCHEMBL23375155

CCCCC1(CCCC)CN(c2ccccc2)c2cc(N(C)C)c(OCC(=O)O)cc2S(O)(O)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 7/20 0.38
NR1H4 Q96RI1 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TSHR P16473 1/20 0.32
PSEN1 P49768 5/20 0.32
PSEN2 P49810 5/20 0.32
APH1B Q8WW43 5/20 0.32
NCSTN Q92542 5/20 0.32
APH1A Q96BI3 5/20 0.32
PSENEN Q9NZ42 5/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGIR P43119 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL23375097 0.97 SLC10A2 (0.39) SLC10A2NR1H4OPRM1OPRL1PPARG
SCHEMBL23375157 0.93 OPRM1 (0.38) SLC10A2NR1H4OPRM1OPRL1PSEN1
SCHEMBL23375154 0.91 SLC10A2 (0.43) SLC10A2NR1H4OPRM1OPRL1
SCHEMBL23375106 0.90 SLC10A2 (0.39) SLC10A2NR1H4PPARGPPARATSHR
SCHEMBL23375104 0.89 OPRM1 (0.37) SLC10A2NR1H4OPRM1OPRL1PSEN1
SCHEMBL22286481 0.88 SLC10A2 (0.37) SLC10A2NR1H4
SCHEMBL23375158 0.88 SLC10A2 (0.44) SLC10A2NR1H4OPRM1OPRL1
SCHEMBL23375177 0.88 SLC10A2 (0.44) SLC10A2NR1H4OPRM1OPRL1
SCHEMBL23375167 0.88 SLC10A2 (0.48) SLC10A2NR1H4GLAPTGDR2
SCHEMBL23375185 0.88 SLC10A2 (0.39) SLC10A2NR1H4PPARGPPARATSHR

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-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US claimed
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US claimed
WO-2021110887-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO claimed
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2021-05-25 US claimed
US-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2024-07-02 US disclosed
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-09-30 US disclosed
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 US disclosed
WO-2021110887-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2021-06-10 WO disclosed
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2021-05-25 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 (4 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-12024495-B2 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885OPRM1 2296/4885
US-20210171479-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885OPRM1 2217/4885
US-20210299141-A1 BENZOTHIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885OPRM1 2296/4885
US-11014898-B1 Benzothiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 SLC10A2 2/4885NR1H4 6/4885OPRM1 2296/4885

“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.