SCHEMBL1362496

SCHEMBL1362496

[O]CC(=O)N[C@@H](C(=O)NCCNC(=O)Nc1ncccn1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CASR P41180 5/20 0.39
TACR1 P25103 1/20 0.38
TACR3 P29371 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
GPR88 Q9GZN0 1/20 0.37

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
SCHEMBL6270879 0.91 GAA (0.39) GAATAS1R3TAS1R1CASRTACR1
SCHEMBL1361676 0.88 SMN1; SMN2 (0.51) GAANPC1RAB9A
SCHEMBL6266202 0.79 SMN1; SMN2 (0.51) GAANPC1RAB9A
SCHEMBL1362244 0.78 CYP3A4 (0.47) TACR1TACR3
SCHEMBL6617399 0.77 ACE (0.46)
SCHEMBL1362522 0.77 TACR1 (0.55) TACR1TACR3GPR88
SCHEMBL6158896 0.76 GPR88 (0.39) TACR1TACR3TP53GPR88
SCHEMBL2945634 0.74 MME (0.48)
SCHEMBL5741002 0.74 CNR1 (0.39) TACR1TACR3
SCHEMBL6158939 0.73 F10 (0.38) GAATACR1TACR3TP53GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20040254160-A1 Benzothiazepine derivatives ELOBIX AB (SE) 2004-12-16 US disclosed
EP-1430040-A1 BENZOTHIAZEPINE DERIVATIVES Astrazeneca AB (SE) 2004-06-23 EP 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 (2 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-20040254160-A1 Benzothiazepine derivatives SLC10A2, SLC10A1, ABCB11 GAA 1070/4885TAS1R3 1026/4885TAS1R1 838/4885
US-20060094884-A1 Benzothiazepine and benzothiepine derivatives SLC10A2, SLC10A1, ABCB11 GAA 1321/4885TAS1R3 902/4885TAS1R1 814/4885

“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.