SCHEMBL6306358

SCHEMBL6306358

CC(Cc1c[nH]c2ccccc12)(NC(=O)CO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.51
TACR1 P25103 5/20 0.49
NMBR P28336 2/20 0.49
TACR3 P29371 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
APAF1 O14727 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACE P12821 1/20 0.46

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
SCHEMBL6306355 0.90 CCKBR (0.51) CCKBRTACR1NMBRTACR3KDM4E
SCHEMBL22835926 0.84 NMBR (0.53) CCKBRTACR1NMBRTACR3KDM4E
SCHEMBL6339800 0.83 MAPT (0.52) CCKBRTACR1NMBRTACR3KDM4E
SCHEMBL3020294 0.83 CTSL (0.59) CCKBRTACR1TACR3MAPTSMN1; SMN2
SCHEMBL3020291 0.83 CTSL (0.59) CCKBRTACR1TACR3MAPTSMN1; SMN2
SCHEMBL9016089 0.83 CTSL (0.59) CCKBRTACR1TACR3MAPTSMN1; SMN2
SCHEMBL15145403 0.82 NMBR (0.49) CCKBRTACR1NMBRTACR3KDM4E
SCHEMBL27572661 0.81 CCKBR (0.52) CCKBRTACR1NMBRTACR3KDM4E
SCHEMBL23085871 0.81 CCKBR (0.48) CCKBRTACR1NMBRKDM4EMAPT
SCHEMBL8901324 0.81 NMBR (0.55) CCKBRNMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906058-B2 1,5-Benzothiazepines and their use as hypolipidaemics ASTRAZENECA AB (SE) 2005-06-14 US claimed
EP-1263747-B1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS ASTRAZENECA AB (SE) 2004-11-24 EP claimed
US-20030166927-A1 1,5-Benzothiazepines and their use as hypolipidaemics ALBIREO AB (SE) 2003-09-04 US claimed
US-6906058-B2 1,5-Benzothiazepines and their use as hypolipidaemics ASTRAZENECA AB (SE) 2005-06-14 US disclosed
EP-1263747-B1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS ASTRAZENECA AB (SE) 2004-11-24 EP disclosed
US-20030166927-A1 1,5-Benzothiazepines and their use as hypolipidaemics ALBIREO AB (SE) 2003-09-04 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 (1 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-20030166927-A1 1,5-Benzothiazepines and their use as hypolipidaemics SLC10A2, SLC10A1, LCAT CCKBR 418/4885TACR1 812/4885NMBR 3835/4885

“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.