SCHEMBL5455730

SCHEMBL5455730

CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc(C#N)cc3)cc2CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.56
ESR2 Q92731 1/20 0.53
NR1H2 P55055 1/20 0.52
EGLN2 Q96KS0 2/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
HSD17B3 P37058 1/20 0.46
DRD2 P14416 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR6 P50406 1/20 0.44
CRBN Q96SW2 1/20 0.44
AR P10275 1/20 0.43
MAPT P10636 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
SCHEMBL2123156 0.90 ESR2 (0.57) GPR119ESR2NR1H2EGLN2NPC1
SCHEMBL6324611 0.86 GPR119 (0.46) GPR119ESR2NR1H2EGLN2NPC1
SCHEMBL5661604 0.85 ESR2 (0.50) GPR119ESR2NR1H2EGLN2NPC1
SCHEMBL5467960 0.85 ESR2 (0.68) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL30548176 0.83 ESR2 (0.69) GPR119ESR2NR1H2DRD2DRD3
SCHEMBL5453239 0.83 ESR2 (0.55) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL451998 0.83 ESR2 (0.69) GPR119ESR2NR1H2DRD2DRD3
SCHEMBL2416879 0.83 NR1H2 (0.67) GPR119ESR2NR1H2DRD2DRD3
SCHEMBL29586616 0.83 NR1H2 (0.67) GPR119ESR2NR1H2DRD2DRD3
SCHEMBL3695530 0.80 ESR2 (0.61) GPR119ESR2NR1H2EGLN2DRD2

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 GPR119 1092/4885ESR2 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.