SCHEMBL23869409

SCHEMBL23869409

CN[C@@H]1CCN(c2cc(-c3cnn(C)c3C)nc(N)n2)C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 20/20 0.62
HRH3 Q9Y5N1 2/20 0.56
KCNH2 Q12809 1/20 0.52

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
SCHEMBL31741660 1.00 HRH4 (0.62) HRH4HRH3KCNH2
SCHEMBL23931246 0.88 HRH4 (0.58) HRH4HRH3
SCHEMBL30261080 0.88 HRH4 (0.58) HRH4HRH3
SCHEMBL23931247 0.88 HRH4 (0.58) HRH4HRH3
SCHEMBL23869557 0.85 HRH4 (0.57) HRH4HRH3
SCHEMBL23869428 0.85 HRH4 (0.55) HRH4HRH3KCNH2
Hydrochloric Acid SCHEMBL31741706 0.85 HRH4 (0.56) HRH4HRH3
Hydrochloric Acid SCHEMBL31741703 0.85 HRH4 (0.54) HRH4HRH3KCNH2
SCHEMBL23869413 0.83 HRH4 (0.56) HRH4
SCHEMBL23869474 0.82 HRH4 (0.65) HRH4HRH3KCNH2

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-20210300906-A1 PYRAZOLE DERIVATIVES AS H4 ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-09-30 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-20210300906-A1 PYRAZOLE DERIVATIVES AS H4 ANTAGONIST COMPOUNDS HRH4, HRH3, HDAC3 HRH4 1/4885HRH3 2/4885KCNH2 935/4885

“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.