SCHEMBL5793593

SCHEMBL5793593

Brc1ccc(CN2C[C@@H]3[C@H](COCCCN4CCCCC4)[C@@H]3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.51
ACHE P22303 3/20 0.50
RAD52 P43351 1/20 0.50
SLC6A2 P23975 2/20 0.47
HRH1 P35367 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
CACNA1C Q13936 1/20 0.47
SCN5A Q14524 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRM4 P08173 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL5793590 1.00 HRH3 (0.51) HRH3ACHERAD52SLC6A2HRH1
SCHEMBL5793595 1.00 HRH3 (0.51) HRH3ACHERAD52SLC6A2HRH1
SCHEMBL5796399 0.89 HRH3 (0.61) HRH3ACHERAD52SLC6A2HRH1
SCHEMBL5796833 0.89 HRH3 (0.61) HRH3ACHERAD52SLC6A2HRH1
SCHEMBL5796832 0.89 HRH3 (0.61) HRH3ACHERAD52SLC6A2HRH1
SCHEMBL5908092 0.89 HRH3 (0.61) HRH3ACHERAD52SLC6A2HRH1
SCHEMBL5820304 0.88 HRH3 (0.51) HRH3ACHERAD52SLC6A2HRH1
SCHEMBL5908085 0.88 HRH3 (0.51) HRH3ACHERAD52SLC6A2HRH1
SCHEMBL5820307 0.88 HRH3 (0.51) HRH3ACHERAD52SLC6A2HRH1
SCHEMBL5796240 0.88 ALDH1A1 (0.56) HRH3ACHERAD52SLC6A2HRH1

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
WO-2006024955-A1 AZABICYCLIC AMINE HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-03-09 WO claimed
US-20060047114-A1 Azabicyclic amine histamine-3 receptor antagonists PFIZER INC 2006-03-02 US claimed
WO-2006024955-A1 AZABICYCLIC AMINE HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-03-09 WO disclosed
US-20060047114-A1 Azabicyclic amine histamine-3 receptor antagonists PFIZER INC 2006-03-02 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-20060047114-A1 Azabicyclic amine histamine-3 receptor antagonists HRH3, HRH4, HRH2 HRH3 1/4885ACHE 227/4885RAD52 4180/4885

“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.