SCHEMBL5453239

SCHEMBL5453239

CC(C)(C)OC(=O)N1CCc2ccc(-c3ccncc3)cc2CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.55
GPR119 Q8TDV5 12/20 0.55
NR1H2 P55055 1/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
GPR142 Q7Z601 1/20 0.47
CRBN Q96SW2 1/20 0.45
GRM1 Q13255 1/20 0.44
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL31083726 0.93 ESR2 (0.66) ESR2GPR119NR1H2NPC1RAB9A
SCHEMBL25404045 0.93 ESR2 (0.66) ESR2GPR119NR1H2NPC1RAB9A
SCHEMBL5467960 0.87 ESR2 (0.68) ESR2GPR119NR1H2NPC1RAB9A
SCHEMBL22638749 0.85 ROCK2 (0.52) ESR2GPR119NR1H2PTPN2PTPN1
SCHEMBL5455730 0.83 GPR119 (0.56) ESR2GPR119NR1H2NPC1RAB9A
SCHEMBL4763630 0.82 ESR2 (0.50) ESR2GPR119NR1H2NPC1RAB9A
SCHEMBL5960591 0.81 CHRM4 (0.47) ESR2GPR119NR1H2PTPN2PTPN1
SCHEMBL2115820 0.80 GPR119 (0.57) ESR2GPR119NR1H2NPC1RAB9A
SCHEMBL30593270 0.80 ESR2 (0.69) ESR2GPR119NR1H2NPC1RAB9A
SCHEMBL23124526 0.80 ESR2 (0.69) ESR2GPR119NR1H2NPC1RAB9A

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 ESR2 573/4885GPR119 1092/4885NR1H2 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.