SCHEMBL4489208

SCHEMBL4489208

O=C(Nc1ccc(OCCCN2CC3CCCC3C2)cc1)c1csc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
MET P08581 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 2/20 0.42
NFATC1 O95644 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40
C5AR1 P21730 1/20 0.40

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
SCHEMBL4495320 0.82 HRH3 (0.55) HRH3MEN1MAPTKMT2AMET
Oxalic Acid SCHEMBL5449181 0.81 MEN1 (0.54) HRH3MEN1KMT2AMETSMN1; SMN2
SCHEMBL4503943 0.80 POLB (0.55) HRH3MEN1USP2MAPTKMT2A
SCHEMBL4487999 0.79 HRH3 (0.53) HRH3HTR2AMETEPHX2
SCHEMBL4489261 0.79 HRH3 (0.66) HRH3MEN1KMT2AMETEPHX2
SCHEMBL4491205 0.77 HRH3 (0.60) HRH3MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4500729 0.77 HRH3 (0.65) HRH3MEN1MAPTKMT2AHTR1A
SCHEMBL4495215 0.76 HRH3 (0.55) HRH3MAPTHTR1ADRD2HTR2A
SCHEMBL4506238 0.76 SMN1; SMN2 (0.56) HRH3MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4485900 0.76 HRH3 (0.63) HRH3MEN1MAPTKMT2AEPHX2

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 9/4885MEN1 998/4885USP2 3008/4885

“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.