SCHEMBL30701558

SCHEMBL30701558

C[C@@H]1CN(CC(=O)N2CCc3ccc(Cl)cc32)CCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XIAP P98170 19/20 1.00
BIRC2 Q13490 17/20 1.00

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
SCHEMBL15812216 1.00 XIAP (1.00) XIAPBIRC2
SCHEMBL15812214 1.00 XIAP (1.00) XIAPBIRC2
SCHEMBL17160787 0.88 XIAP (1.00) XIAPBIRC2
SCHEMBL15837631 0.88 XIAP (1.00) XIAPBIRC2
SCHEMBL15812149 0.87 XIAP (1.00) XIAPBIRC2
SCHEMBL15812150 0.87 XIAP (1.00) XIAPBIRC2
SCHEMBL17160775 0.87 XIAP (1.00) XIAPBIRC2
SCHEMBL17160752 0.87 XIAP (0.78) XIAPBIRC2
SCHEMBL15837632 0.87 XIAP (0.78) XIAPBIRC2
SCHEMBL15837634 0.87 XIAP (1.00) XIAPBIRC2

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-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2024-01-09 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-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 XIAP 2221/4885BIRC2 2390/4885

“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.