SCHEMBL1979219

SCHEMBL1979219

NC(=O)c1ccc(OCCCCN2C[C@H]3CC[C@H]3C2)cc1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.83
PARP10 Q53GL7 5/20 0.51
PARP15 Q460N3 4/20 0.51
PARP2 Q9UGN5 2/20 0.51
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
MAOB P27338 1/20 0.48
TBXAS1 P24557 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL1977578 0.96 HRH3 (0.90) HRH3PARP10PARP15PARP2HRH2
Hydrochloric Acid SCHEMBL1979057 0.95 HRH3 (0.88) HRH3PARP10PARP15PARP2HRH2
Oxalic Acid SCHEMBL1976615 0.92 HRH3 (0.83) HRH3PARP10PARP15PARP2HRH2
SCHEMBL3828820 0.92 HRH3 (0.74) HRH3PARP10PARP15PARP2HRH2
SCHEMBL1978047 0.92 HRH3 (0.78) HRH3PARP10PARP15PARP2HRH2
SCHEMBL14158615 0.91 HRH3 (1.00) HRH3PARP10PARP15PARP2HRH2
SCHEMBL13570581 0.91 HRH3 (1.00) HRH3PARP10PARP15PARP2HRH2
SCHEMBL14152811 0.91 HRH3 (1.00) HRH3PARP10PARP15PARP2HRH2
SCHEMBL4489280 0.91 HRH3 (0.95) HRH3PARP10PARP15PARP2HRH2
SCHEMBL14152810 0.91 HRH3 (1.00) HRH3PARP10PARP15PARP2HRH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332910-B1 New derivatives of azabicyclo[3.2.0]hept-3-yl, method for preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2013-01-30 EP disclosed
US-8008337-B2 Azabicyclo[3.2.0] hept-3-yl compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-08-30 US disclosed
EP-2332910-A1 New derivatives of azabicyclo[3.2.0]hept-3-yl, method for preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-06-15 EP disclosed
US-20110136886-A1 Azabicyclo[3.2.0] hept-3-yl compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-06-09 US 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-20110136886-A1 Azabicyclo[3.2.0] hept-3-yl compounds, a process for their preparation and pharmaceutical compositions containing them HRH2, HRH4, HRH3 HRH3 3/4885PARP10 1138/4885PARP15 1837/4885

“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.