SCHEMBL30945274

SCHEMBL30945274

Brc1ccc(C2CNC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL25326519 1.00 CHRNB2 (0.41) CHRNB2CHRNA4DDB1CRBN
SCHEMBL29909305 0.81 TRPV6 (0.42) CHRNB2CHRNA4
SCHEMBL1655533 0.81 TRPV6 (0.42) CHRNB2CHRNA4
SCHEMBL30630185 0.76 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL20757503 0.76 CHRNB2 (0.42) CHRNB2CHRNA4DDB1CRBN
SCHEMBL25702645 0.76 KDM4E (0.54)
SCHEMBL23517959 0.76 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL254836 0.76 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL13949329 0.76 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL31076325 0.76 CHRNB2 (0.46) CHRNB2CHRNA4

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-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 CHRNB2 2449/4885CHRNA4 2283/4885DDB1 1719/4885

“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.