SCHEMBL4494595

SCHEMBL4494595

O=C(NCC1CC1)c1ccc(OCCCN2CC3CCCC3C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.67
MMP13 P45452 1/20 0.47
MAOB P27338 1/20 0.47
KDM1A O60341 1/20 0.46
HRH2 P25021 2/20 0.45
HRH1 P35367 2/20 0.45

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
SCHEMBL4495437 0.87 HRH3 (0.69) HRH3MAOBHRH2HRH1
SCHEMBL4622140 0.85 HRH3 (0.66) HRH3HRH2HRH1
SCHEMBL4622753 0.85 HRH3 (0.66) HRH3MAOBHRH2HRH1
SCHEMBL14241012 0.85 HRH3 (0.72) HRH3MAOBHRH2HRH1
SCHEMBL15494258 0.85 HRH3 (0.72) HRH3MAOBHRH2HRH1
SCHEMBL4486197 0.85 HRH3 (0.72) HRH3MAOBHRH2HRH1
SCHEMBL4486761 0.84 HRH3 (0.65) HRH3
SCHEMBL4496452 0.84 HRH3 (0.70) HRH3MAOBHRH2HRH1
SCHEMBL4498063 0.84 HRH3 (0.64) HRH3MAOB
SCHEMBL4500715 0.84 HRH3 (0.64) HRH3HRH2HRH1

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 2 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
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 9/4885MMP13 4375/4885MAOB 8/4885

“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.