SCHEMBL4839044

SCHEMBL4839044

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
ITGB3 P05106 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA5 P08648 1/20 0.30

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
SCHEMBL14156697 1.00 HRH3 (0.37) HRH3ITGB3ITGB1ITGAVITGA5
SCHEMBL4839050 1.00 HRH3 (0.37) HRH3ITGB3ITGB1ITGAVITGA5
SCHEMBL4838753 0.81 HRH3 (0.36) HRH3ITGB3
SCHEMBL14156666 0.81 HRH3 (0.36) HRH3ITGB3
SCHEMBL4838771 0.81 HRH3 (0.36) HRH3ITGB3
SCHEMBL417814 0.78 HRH3 (0.37) HRH3ITGB3ITGAV
SCHEMBL6948618 0.78 HRH3 (0.37) HRH3ITGB3ITGAV
SCHEMBL4836513 0.78 HRH3 (0.34) HRH3ITGB3ITGAV
SCHEMBL17411 0.76 HRH3 (0.41) HRH3ITGB3ITGAV
SCHEMBL4410585 0.75 HRH3 (0.38) HRH3ITGB3ITGAV

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 2655/4885ITGB1 2436/4885

“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.