SCHEMBL1360792

SCHEMBL1360792

[O]CC(=O)N[C@@H](C(=O)NCCOc1ccccc1O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.41
GPR88 Q9GZN0 2/20 0.41
JAK2 O60674 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6157128 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL1363693 0.79 PARP10 (0.52) ALDH1A1NPSR1GPR88HPGDSMN1; SMN2
SCHEMBL1362244 0.78 CYP3A4 (0.47) ALDH1A1KDM4E
SCHEMBL6617399 0.77 ACE (0.46)
SCHEMBL1362522 0.77 TACR1 (0.55) GPR88
SCHEMBL5422657 0.75 TACR1 (0.44) ALDH1A1KDM4ELMNA
SCHEMBL1362561 0.75 HPGD (0.56) ALDH1A1KDM4ENPSR1GPR88HPGD
SCHEMBL2945634 0.74 MME (0.48) ALDH1A1MAPTHPGDHSD17B10MEN1
SCHEMBL5741002 0.74 CNR1 (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL25797250 0.72 GAA (0.55) ALDH1A1KDM4EDRD2DRD4DRD3

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-1501813-B1 Benzothiadiazepine derivatives, processes for their preparation and pharmaceutical compositions containing them ALBIREO AB (SE) 2013-08-14 EP disclosed
US-8067584-B2 Benzothiazepine derivatives ALBIREO AB (SE) 2011-11-29 US disclosed
EP-1430040-B1 BENZOTHIAZEPINE DERIVATIVES ALBIREO AB (SE) 2009-08-05 EP disclosed
US-7238684-B2 Benzothiadiazepine derivatives, processes for their preparation and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2007-07-03 US disclosed
US-7192946-B2 Benzothiazepine derivatives ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20060094884-A1 Benzothiazepine and benzothiepine derivatives ALBIREO AB (SE) 2006-05-04 US disclosed
EP-1597245-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES AstraZeneca AB (SE) 2005-11-23 EP disclosed
US-20050143368-A1 Chemical compounds ALBIREO AB (SE) 2005-06-30 US disclosed
EP-1501813-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astrazeneca AB (SE) 2005-02-02 EP disclosed
US-20040254160-A1 Benzothiazepine derivatives ELOBIX AB (SE) 2004-12-16 US disclosed
WO-2004076430-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-10 WO disclosed
EP-1430040-A1 BENZOTHIAZEPINE DERIVATIVES Astrazeneca AB (SE) 2004-06-23 EP disclosed
WO-2003091232-A2 BENZOTHIADIAZEPINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-11-06 WO disclosed
WO-2003020710-A1 BENZOTHIAZEPINE DERIVATIVES ASTRAZENECA AB (SE) 2003-03-13 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 (3 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-20050143368-A1 Chemical compounds SLC10A2, SLC10A1, ABCB11 ALDH1A1 1675/4885KDM4E 2816/4885DRD2 1538/4885
US-20040254160-A1 Benzothiazepine derivatives SLC10A2, SLC10A1, ABCB11 ALDH1A1 941/4885KDM4E 1821/4885DRD2 1951/4885
US-20060094884-A1 Benzothiazepine and benzothiepine derivatives SLC10A2, SLC10A1, ABCB11 ALDH1A1 1730/4885KDM4E 1788/4885DRD2 1779/4885

“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.