SCHEMBL3589012

SCHEMBL3589012

C[C@@H]1CCCN1CCCOc1ccc(-c2nc3c(s2)CN(CC(=O)OC(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.49
KCNH2 Q12809 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL3589009 0.90 HRH3 (0.51) HRH3KCNH2
SCHEMBL13542106 0.89 HRH3 (0.51) HRH3KCNH2
SCHEMBL3578815 0.88 HRH3 (0.55) HRH3KCNH2
SCHEMBL3573628 0.88 HRH3 (0.55) HRH3KCNH2
SCHEMBL3580977 0.87 HRH3 (0.54) HRH3KCNH2
SCHEMBL3581416 0.85 HRH3 (0.56) HRH3KCNH2
SCHEMBL3579941 0.83 HRH3 (0.55) HRH3KCNH2
SCHEMBL3586917 0.83 HRH3 (0.53) HRH3KCNH2
SCHEMBL3582206 0.82 HRH3 (0.54) HRH3KCNH2
SCHEMBL3580499 0.82 HRH3 (0.55) HRH3

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-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
EP-2049548-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 WO 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-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 753/4885

“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.