SCHEMBL4493597

SCHEMBL4493597

O=C(NCCN1CCOCC1)c1ccc(OCCCN2CC3CCCC3C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.60
CD274 Q9NZQ7 5/20 0.55
ALDH1A1 P00352 1/20 0.55
HTR1A P08908 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
KCNH2 Q12809 1/20 0.55
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
GLA P06280 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL4498063 0.91 HRH3 (0.64) HRH3ALDH1A1MAOBGLAL3MBTL1
SCHEMBL4622753 0.84 HRH3 (0.66) HRH3ALDH1A1MAOBGLAL3MBTL1
SCHEMBL4622140 0.84 HRH3 (0.66) HRH3GLAL3MBTL1
SCHEMBL4486761 0.83 HRH3 (0.65) HRH3ALDH1A1HPGD
SCHEMBL4622153 0.82 HRH3 (0.70) HRH3
SCHEMBL4495437 0.82 HRH3 (0.69) HRH3MAOBGLAL3MBTL1
Oxalic Acid SCHEMBL4489113 0.82 HRH3 (0.62) HRH3ALDH1A1GLAL3MBTL1
Oxalic Acid SCHEMBL4506368 0.82 HRH3 (0.62) HRH3ALDH1A1GLAL3MBTL1
SCHEMBL4494595 0.81 HRH3 (0.67) HRH3MAOB
SCHEMBL5106634 0.80 GLA (0.73) HRH3ALDH1A1MAOBGLAL3MBTL1

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 3 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 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

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 9/4885CD274 2669/4885ALDH1A1 308/4885

“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.