SCHEMBL30834085

SCHEMBL30834085

Nc1cc(N2CCN(CCO)[C@H](c3ccccc3Br)C2)nc(NC2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.46
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
BTK Q06187 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL27201431 0.86 HRH4 (0.53) HRH4
SCHEMBL30885307 0.86 HRH4 (0.53) HRH4
SCHEMBL30834079 0.86 HRH4 (0.41) HRH4NR1H2NR1H3BTK
SCHEMBL30834136 0.85 NUDT1 (0.47) HRH4
SCHEMBL27201365 0.85 CYP3A4 (0.33) HRH4NR1H2NR1H3BTKDRD2
SCHEMBL27201401 0.82 HRH4 (0.46) HRH4NR1H2MAPK8
SCHEMBL30834167 0.82 HRH4 (0.46) HRH4NR1H2MAPK8
SCHEMBL30885303 0.71 HRH4 (0.53) HRH4
SCHEMBL27201555 0.71 HRH4 (0.53) HRH4
SCHEMBL30834076 0.70 HRH4 (0.49) HRH4

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
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US claimed
WO-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO claimed
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US disclosed
WO-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP HRH4 4074/4885NR1H2 2458/4885NR1H3 2958/4885

“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.