SCHEMBL5458760

SCHEMBL5458760

CNC(=O)c1cccc(-c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.52
ESR2 Q92731 1/20 0.52
NR1H2 P55055 1/20 0.51
USP30 Q70CQ3 2/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
S1PR2 O95136 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 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
SCHEMBL1785437 0.83 ESR2 (0.61) CRBNESR2NR1H2USP30NPC1
SCHEMBL25110311 0.82 NR1H2 (0.67) CRBNESR2NR1H2NPC1RAB9A
SCHEMBL14063092 0.82 ESR2 (0.69) CRBNESR2NR1H2NPC1RAB9A
SCHEMBL4096970 0.80 NAMPT (0.57) USP30NAMPT
SCHEMBL30593270 0.79 ESR2 (0.69) CRBNESR2NR1H2USP30NPC1
SCHEMBL23124526 0.79 ESR2 (0.69) CRBNESR2NR1H2USP30NPC1
SCHEMBL7744185 0.79 NR1H2 (0.67) CRBNESR2NR1H2USP30NPC1
SCHEMBL5467960 0.79 ESR2 (0.68) CRBNESR2NR1H2NPC1RAB9A
SCHEMBL5451256 0.79 HRH3 (0.57) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL5465499 0.78 ESR2 (0.49) CRBNESR2NR1H2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B CRBN 186/4885ESR2 573/4885NR1H2 107/4885

“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.