SCHEMBL4500729

SCHEMBL4500729

CC(=O)Nc1ccc(OCCCN2CC3CCCC3C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.65
DRD2 P14416 6/20 0.57
HTR2A P28223 6/20 0.55
HTR1A P08908 4/20 0.55
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
ADRA2A P08913 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR6 P50406 1/20 0.49
KCNH2 Q12809 1/20 0.49
EPHX2 P34913 1/20 0.49

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
Oxalic Acid SCHEMBL4497957 0.96 HRH3 (0.61) HRH3DRD2HTR2AHTR1AALDH1A1
SCHEMBL1978870 0.95 DRD2 (0.60) HRH3DRD2HTR2AHTR1AALDH1A1
SCHEMBL1977592 0.91 DRD2 (0.56) HRH3DRD2HTR2AHTR1AALDH1A1
SCHEMBL3824042 0.90 DRD2 (0.60) HRH3DRD2HTR2AHTR1AALDH1A1
SCHEMBL1980710 0.89 ALDH1A1 (0.56) HRH3DRD2HTR2AHTR1AALDH1A1
SCHEMBL4490437 0.87 HRH3 (0.61) HRH3DRD2HTR2AMAPTEPHX2
SCHEMBL4622216 0.87 HRH3 (0.61) HRH3DRD2HTR2AHRH1EPHX2
SCHEMBL4502312 0.87 HRH3 (0.61) HRH3DRD2EPHX2
SCHEMBL4485900 0.87 HRH3 (0.63) HRH3LMNAMEN1KMT2AMAPT
SCHEMBL4487976 0.87 HRH3 (0.63) HRH3LMNAMEN1KMT2AMAPT

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
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
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP 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 9/4885DRD2 877/4885HTR2A 131/4885

“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.