SCHEMBL10079644

SCHEMBL10079644

CC(C)C1CCN2CCC[C@H](C(C)C)C(=O)N12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.33
CRY2 Q49AN0 1/20 0.33
PIK3CD O00329 1/20 0.30

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
SCHEMBL10060276 1.00 PER2 (0.33) PER2CRY2PIK3CD
SCHEMBL10060272 0.92 PIK3CD (0.32) PER2CRY2PIK3CD
SCHEMBL10079645 0.81 PIK3CD (0.44) PIK3CD
SCHEMBL11964598 0.77 PER2 (0.32) PER2CRY2PIK3CD
SCHEMBL22175774 0.76 ACE (0.46)
SCHEMBL13341984 0.72 BRD4 (0.38) PER2CRY2PIK3CD
SCHEMBL18651543 0.72 BRD4 (0.38) PER2CRY2PIK3CD
SCHEMBL13283514 0.72 BRD4 (0.38) PER2CRY2PIK3CD
SCHEMBL18821191 0.71 ACE (0.36) PER2CRY2PIK3CD
SCHEMBL12545572 0.71 ACE (0.36) PER2CRY2PIK3CD

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-8163792-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-04-24 US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 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-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 PER2 4770/4885CRY2 3745/4885PIK3CD 2589/4885

“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.