SCHEMBL4240309

SCHEMBL4240309

COc1nc(NCCN(C(=O)O)C(C)C)nc(OC)c1NC(=O)c1csc(Oc2cc(C(C)(C)C)ccc2Br)n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 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
SCHEMBL4237713 0.93 ABCB1 (0.33) ACHE
SCHEMBL4233113 0.93 ACHE (0.32) ACHE
SCHEMBL4237673 0.93 ACHE (0.33) ACHE
SCHEMBL4622604 0.90 ACHE (0.34) ACHE
SCHEMBL4233310 0.90 CACNA1H (0.30) ACHE
SCHEMBL4228417 0.88 CYP1A2 (0.32)
SCHEMBL4622593 0.87 ACHE (0.33) ACHE
SCHEMBL4235778 0.86 ABCB1 (0.35) ACHE
SCHEMBL4236151 0.85 P2RY1 (0.32) ACHE
SCHEMBL4233455 0.85 GNRHR (0.32) ACHE

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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR ACHE 2474/4885

“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.