SCHEMBL4847883

SCHEMBL4847883

C=C(C)COC[C@H]1NC(=O)CNC1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.34
ITGAV P06756 15/20 0.34
ITGA2B P08514 5/20 0.34
HRH3 Q9Y5N1 2/20 0.33
ITGB5 P18084 13/20 0.32

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
SCHEMBL4847874 1.00 ITGB3 (0.34) ITGB3ITGAVITGA2BHRH3ITGB5
SCHEMBL14156654 1.00 ITGB3 (0.34) ITGB3ITGAVITGA2BHRH3ITGB5
SCHEMBL4836513 0.81 HRH3 (0.34) ITGB3ITGAVITGA2BHRH3
SCHEMBL4838753 0.79 HRH3 (0.36) ITGB3ITGA2BHRH3
SCHEMBL14156666 0.79 HRH3 (0.36) ITGB3ITGA2BHRH3
SCHEMBL4838771 0.79 HRH3 (0.36) ITGB3ITGA2BHRH3
SCHEMBL4839044 0.75 HRH3 (0.37) ITGB3ITGAVHRH3
SCHEMBL14156697 0.75 HRH3 (0.37) ITGB3ITGAVHRH3
SCHEMBL4839050 0.75 HRH3 (0.37) ITGB3ITGAVHRH3
SCHEMBL14156657 0.75 ALDH1A1 (0.37) HRH3

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 ITGB3 2655/4885ITGAV 2518/4885ITGA2B 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.