SCHEMBL12435333

SCHEMBL12435333

CNC(C)C(=O)N[C@H]1CCC(=O)N2CCCC(OC3Cc4ccccc4C3)N2C1=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.48
ACE P12821 2/20 0.48
XIAP P98170 18/20 0.47

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
SCHEMBL12128047 0.89 MME (0.48) MMEACEXIAP
SCHEMBL1328852 0.85 XIAP (0.49) MMEACEXIAP
SCHEMBL12127829 0.77 MME (0.46) MMEACEXIAP
SCHEMBL12435340 0.76 XIAP (0.53) XIAP
SCHEMBL12433658 0.76 XIAP (0.60) XIAP
SCHEMBL12434417 0.76 XIAP (0.57) XIAP
SCHEMBL1330906 0.76 MME (0.46) MMEACEXIAP
SCHEMBL1328679 0.75 MME (0.47) MMEACEXIAP
SCHEMBL1330685 0.75 MME (0.46) MMEACEXIAP
SCHEMBL1329443 0.73 MME (0.52) MMEACEXIAP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 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-20090069294-A1 Organic Compounds XIAP, BAX, MCL1 MME 3989/4885ACE 3425/4885XIAP 1/4885

“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.