SCHEMBL5794553

SCHEMBL5794553

c1ccc(CN2CC3C(COCCCCN4CCCCC4)C3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
SIGMAR1 Q99720 3/20 0.48
CCR3 P51677 1/20 0.48
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
APP P05067 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPY1R P25929 1/20 0.46
KCNH2 Q12809 1/20 0.45
HRH4 Q9H3N8 1/20 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
SCHEMBL5793110 0.96 HRH3 (0.58) HRH3SIGMAR1DRD2HTR2AHTR2C
SCHEMBL5796114 0.96 HRH3 (0.58) HRH3SIGMAR1DRD2HTR2AHTR2C
SCHEMBL5793108 0.96 HRH3 (0.58) HRH3SIGMAR1DRD2HTR2AHTR2C
SCHEMBL5793105 0.96 HRH3 (0.58) HRH3SIGMAR1DRD2HTR2AHTR2C
SCHEMBL5796741 0.90 HRH3 (0.54) HRH3KCNH2HRH4
SCHEMBL5796735 0.90 HRH3 (0.54) HRH3KCNH2HRH4
SCHEMBL5796731 0.90 HRH3 (0.54) HRH3KCNH2HRH4
SCHEMBL5792965 0.88 HRH3 (0.57) HRH3APP
SCHEMBL5792971 0.88 HRH3 (0.57) HRH3APP
SCHEMBL5792968 0.88 HRH3 (0.57) HRH3APP

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 1/4885SIGMAR1 1354/4885CCR3 672/4885

“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.