SCHEMBL5908079

SCHEMBL5908079

c1ccc(CCN2C[C@@H]3[C@H](COCCCN4CCCCC4)[C@@H]3C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.64
SIGMAR1 Q99720 6/20 0.56
SLC6A3 Q01959 2/20 0.54
HRH1 P35367 4/20 0.48
SLC6A2 P23975 2/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A4 P31645 1/20 0.48
KCNH2 Q12809 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN5A Q14524 1/20 0.48
CHRM4 P08173 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
LTA4H P09960 1/20 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
SCHEMBL5793700 1.00 HRH3 (0.64) HRH3SIGMAR1SLC6A3HRH1SLC6A2
SCHEMBL5793108 0.89 HRH3 (0.58) HRH3SIGMAR1HRH1HTR2C
SCHEMBL5793105 0.89 HRH3 (0.58) HRH3SIGMAR1HRH1HTR2C
SCHEMBL5796114 0.89 HRH3 (0.58) HRH3SIGMAR1HRH1HTR2C
SCHEMBL5793110 0.89 HRH3 (0.58) HRH3SIGMAR1HRH1HTR2C
SCHEMBL5794553 0.85 HRH3 (0.53) HRH3SIGMAR1KCNH2HTR2C
SCHEMBL5908108 0.84 HRH3 (0.46) HRH3SIGMAR1HRH1KCNH2HTR2C
SCHEMBL5908112 0.84 HRH3 (0.46) HRH3SIGMAR1HRH1KCNH2HTR2C
SCHEMBL5908114 0.84 HRH3 (0.46) HRH3SIGMAR1HRH1KCNH2HTR2C
SCHEMBL5796731 0.82 HRH3 (0.54) HRH3HRH1KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885SIGMAR1 1354/4885SLC6A3 47/4885

“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.