SCHEMBL1718456

SCHEMBL1718456

CC(C)(C)OC(=O)NC1CCc2ccccc2CC1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
EPHX2 P34913 1/20 0.48
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SCN9A Q15858 3/20 0.45
ANPEP P15144 3/20 0.44
GAA P10253 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
LIPE Q05469 1/20 0.43
NPY1R P25929 1/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL9513864 0.87 EPHX2 (0.51) DRD2EPHX2NFKB1NFKB2RELA
SCHEMBL9515379 0.86 EPHX2 (0.50) DRD2EPHX2NFKB1NFKB2RELA
SCHEMBL3375614 0.83 PDE4A (0.52) DRD2EPHX2
SCHEMBL30047267 0.83 PDE4A (0.52) DRD2EPHX2
SCHEMBL30468602 0.83 PDE4A (0.52) DRD2EPHX2
SCHEMBL3375618 0.83 PDE4A (0.52) DRD2EPHX2
SCHEMBL1718337 0.83 EPHX2 (0.40) DRD2EPHX2NFKB1NFKB2RELA
SCHEMBL1718087 0.83 EPHX2 (0.40) DRD2EPHX2NFKB1NFKB2RELA
SCHEMBL1717979 0.82 ANPEP (0.54) SCN9AANPEPNPY1R
SCHEMBL2771992 0.81 GAA (0.54) NFKB1NFKB2RELAGAAKDM1A

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
EP-2084125-B1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIV HAUTE ALSACE (FR) 2012-01-11 EP disclosed
EP-2084125-B1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIV HAUTE ALSACE (FR) 2012-01-11 EP disclosed
US-20100069504-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIVERSITE DE HAUTE ALSACE (FR) 2010-03-18 US disclosed
US-20100069504-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIVERSITE DE HAUTE ALSACE (FR) 2010-03-18 US disclosed
EP-2084125-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY Universite De Haute Alsace (FR) 2009-08-05 EP disclosed
WO-2008059141-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIVERSITE DE HAUTE ALSACE (FR) 2008-05-22 WO disclosed
WO-2008059141-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIVERSITE DE HAUTE ALSACE (FR) 2008-05-22 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 (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-20100069504-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY ANPEP, ENPEP, DNPEP DRD2 4610/4885EPHX2 346/4885NFKB1 1703/4885

“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.