SCHEMBL4838771

SCHEMBL4838771

CCOCC1NC(=O)CNC1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
GHSR Q92847 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL4838753 1.00 HRH3 (0.36) HRH3ITGB3ITGA2BGHSRNOS1
SCHEMBL14156666 1.00 HRH3 (0.36) HRH3ITGB3ITGA2BGHSRNOS1
SCHEMBL17411 0.83 HRH3 (0.41) HRH3ITGB3ITGA2BNOS1
SCHEMBL4839050 0.81 HRH3 (0.37) HRH3ITGB3
SCHEMBL14156697 0.81 HRH3 (0.37) HRH3ITGB3
SCHEMBL4839044 0.81 HRH3 (0.37) HRH3ITGB3
SCHEMBL14156654 0.79 ITGB3 (0.34) HRH3ITGB3ITGA2B
SCHEMBL4847874 0.79 ITGB3 (0.34) HRH3ITGB3ITGA2B
SCHEMBL4847883 0.79 ITGB3 (0.34) HRH3ITGB3ITGA2B
SCHEMBL6948618 0.79 HRH3 (0.37) HRH3ITGB3ITGA2BGHSR

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-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 HRH3 652/4885ITGB3 2655/4885ITGA2B 2069/4885

“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.