SCHEMBL4486197

SCHEMBL4486197

CNC(=O)c1ccc(OCCCN2CC3CCCC3C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.72
PLK1 P53350 2/20 0.53
HRH2 P25021 5/20 0.50
HRH1 P35367 5/20 0.50
MAOB P27338 1/20 0.50
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
TBXAS1 P24557 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL14241012 1.00 HRH3 (0.72) HRH3PLK1HRH2HRH1MAOB
SCHEMBL4495175 0.98 HRH3 (0.68) HRH3PLK1HRH2HRH1MAOB
SCHEMBL2025211 0.95 HRH3 (0.64) HRH3PLK1HRH2HRH1MAOB
Hydrochloric Acid SCHEMBL1977487 0.94 HRH3 (0.62) HRH3PLK1HRH2HRH1MAOB
SCHEMBL1979469 0.91 HRH3 (0.59) HRH3PLK1HRH2HRH1HTR1A
SCHEMBL3824679 0.90 HRH3 (0.57) HRH3PLK1HRH2HRH1MAOB
SCHEMBL4496452 0.89 HRH3 (0.70) HRH3HRH2HRH1MAOBHTR2A
SCHEMBL4495437 0.88 HRH3 (0.69) HRH3HRH2HRH1MAOB
SCHEMBL15494258 0.88 HRH3 (0.72) HRH3HRH2HRH1MAOBKDM4E
SCHEMBL4622129 0.87 HRH3 (0.67) HRH3HRH2HRH1MAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576120-B2 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-08-18 US claimed
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP claimed
US-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. LES LABORATORATIES SERVIER (FR) 2007-08-23 US claimed
US-7576120-B2 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-08-18 US disclosed
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed
US-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. LES LABORATORATIES SERVIER (FR) 2007-08-23 US disclosed
EP-1720544-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2006-11-15 EP disclosed
WO-2005089747-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-09-29 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-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. HRH2, HNMT, HRH1 HRH3 9/4885PLK1 4603/4885HRH2 1/4885

“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.