SCHEMBL23869474

SCHEMBL23869474

CN[C@@H]1CCN(c2cc(-c3cc(C)n(C)n3)nc(N)n2)C1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 20/20 0.65
HRH3 Q9Y5N1 2/20 0.58
KCNH2 Q12809 1/20 0.54

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
Formic Acid SCHEMBL31741676 0.94 HRH4 (0.57) HRH4HRH3
SCHEMBL23869392 0.85 HRH4 (0.60) HRH4HRH3
SCHEMBL31741672 0.85 HRH4 (0.60) HRH4HRH3
SCHEMBL23869559 0.84 HRH4 (0.62) HRH4HRH3KCNH2
SCHEMBL30810225 0.83 HRH4 (0.63) HRH4HRH3
SCHEMBL21858187 0.83 HRH4 (0.63) HRH4HRH3
SCHEMBL23855434 0.83 HRH4 (0.63) HRH4HRH3
SCHEMBL31741660 0.82 HRH4 (0.62) HRH4HRH3KCNH2
SCHEMBL23869409 0.82 HRH4 (0.62) HRH4HRH3KCNH2
SCHEMBL23869473 0.80 HRH4 (0.62) HRH4HRH3

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.