SCHEMBL29500985

SCHEMBL29500985

CC(C)(C)OC(=O)NC1CC(=O)Nc2ccc(Br)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
BRD4 O60885 4/20 0.40
CREBBP Q92793 3/20 0.40
AAK1 Q2M2I8 3/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
BACE1 P56817 2/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL28446831 1.00 EPHX2 (0.48) EPHX2BRD4CREBBPAAK1GAA
SCHEMBL28449176 0.87 EPHX2 (0.47) EPHX2BRD4AAK1GAABACE1
SCHEMBL29500956 0.87 EPHX2 (0.47) EPHX2BRD4AAK1GAABACE1
SCHEMBL28451186 0.87 EPHX2 (0.49) EPHX2BRD4CREBBPGAANFKB1
SCHEMBL29500912 0.87 EPHX2 (0.49) EPHX2BRD4CREBBPGAANFKB1
SCHEMBL28451195 0.86 EPHX2 (0.48) EPHX2BRD4CREBBPGAANFKB1
SCHEMBL28454474 0.86 EPHX2 (0.48) EPHX2BRD4CREBBPGAANFKB1
SCHEMBL29500783 0.86 EPHX2 (0.48) EPHX2BRD4CREBBPGAANFKB1
SCHEMBL29500902 0.86 EPHX2 (0.48) EPHX2BRD4CREBBPGAANFKB1
SCHEMBL29500833 0.85 EPHX2 (0.47) EPHX2BRD4CREBBPMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724192-B1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2022-08-03 EP disclosed
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists RICHTER GEDEON NYRT. (HU) 2022-04-12 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-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists AVPR1B, AVPR1A, AVPR2 EPHX2 2042/4885BRD4 1235/4885CREBBP 2819/4885

“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.