SCHEMBL4144415

SCHEMBL4144415

COC(=O)C(=Cc1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.74
HRH1 P35367 12/20 0.74
ADRA1B P35368 7/20 0.74
ADRA1A P35348 7/20 0.74
KCNH2 Q12809 11/20 0.67
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
SMYD2 Q9NRG4 1/20 0.43

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
SCHEMBL2852985 0.86 HRH3 (0.84) HRH3HRH1ADRA1BADRA1AKCNH2
SCHEMBL2852984 0.86 HRH3 (0.84) HRH3HRH1ADRA1BADRA1AKCNH2
SCHEMBL2850269 0.85 HRH3 (1.00) HRH3HRH1ADRA1BADRA1AKCNH2
SCHEMBL2850271 0.85 HRH3 (1.00) HRH3HRH1ADRA1BADRA1AKCNH2
Formic Acid SCHEMBL4144418 0.85 HRH3 (0.81) HRH3HRH1ADRA1BADRA1AKCNH2
SCHEMBL2846839 0.81 HRH3 (0.83) HRH3HRH1ADRA1BADRA1AKCNH2
SCHEMBL2851067 0.80 HRH3 (1.00) HRH3HRH1ADRA1BADRA1AKCNH2
SCHEMBL13438221 0.77 HRH3 (1.00) HRH3HRH1ADRA1BADRA1AKCNH2
SCHEMBL13438225 0.77 HRH3 (1.00) HRH3HRH1ADRA1BADRA1AKCNH2
SCHEMBL2854990 0.77 HRH3 (0.81) HRH3HRH1ADRA1BADRA1AKCNH2

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-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core GLAXO GROUP LIMITED (GB) 2009-07-16 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-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core HRH2, HRH1, HRH4 HRH3 4/4885HRH1 2/4885ADRA1B 175/4885

“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.