SCHEMBL4489261

SCHEMBL4489261

O=C(Nc1ccccc1)c1ccc(OCCCN2CC3CCCC3C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.66
EPHX2 P34913 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
MCHR1 Q99705 2/20 0.49
MET P08581 1/20 0.49
KDM4E B2RXH2 2/20 0.49
SLC2A1 P11166 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NR1H4 Q96RI1 2/20 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
SCHEMBL4619491 0.89 HRH3 (0.64) HRH3MCHR1KDM4EALDH1A1MEN1
SCHEMBL4486970 0.89 HRH3 (0.64) HRH3KDM4EMEN1KMT2ARXFP1
SCHEMBL4492003 0.89 HRH3 (0.64) HRH3KDM4EMEN1KMT2ARXFP1
SCHEMBL4491205 0.89 HRH3 (0.60) HRH3MCHR1MEN1NPC1RAB9A
Oxalic Acid SCHEMBL4491824 0.89 HRH3 (0.60) HRH3MCHR1KDM4EALDH1A1MEN1
SCHEMBL4505078 0.87 HRH3 (0.61) HRH3EPHX2
SCHEMBL4505374 0.87 HRH3 (0.60) HRH3EPHX2ALDH1A1RAB9AKMT2A
SCHEMBL4486761 0.86 HRH3 (0.65) HRH3EPHX2KDM4ESLC2A1ALDH1A1
SCHEMBL4622361 0.86 HRH3 (0.59) HRH3KDM4EALDH1A1MEN1NPC1
SCHEMBL4500715 0.85 HRH3 (0.64) HRH3KDM4ESLC2A1ALDH1A1MEN1

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 9/4885EPHX2 446/4885CHRNB2 124/4885

“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.