SCHEMBL823066

SCHEMBL823066

CC(=O)O[C@H]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[C@@H]1Cc1c[nH]c2ncccc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
CCKAR P32238 1/20 0.35
KLK7 P49862 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL819921 1.00 MTNR1A (0.38) MTNR1ACCKARKLK7MEN1KMT2A
SCHEMBL820264 0.90 MTNR1A (0.41) MTNR1ADRD2DRD4DRD3HSD11B1
SCHEMBL817999 0.88 MTNR1A (0.34) MTNR1ADRD2DRD4DRD3HSD11B1
SCHEMBL818000 0.88 XIAP (0.36) MTNR1ADRD2DRD4DRD3HSD11B1
SCHEMBL823087 0.88 XIAP (0.36) MTNR1ADRD2DRD4DRD3HSD11B1
SCHEMBL823086 0.88 XIAP (0.41) MTNR1A
SCHEMBL818170 0.88 XIAP (0.41) MTNR1A
SCHEMBL820272 0.87 MTNR1A (0.37) MTNR1ADRD2DRD4DRD3HSD11B1
SCHEMBL819272 0.86 MTNR1A (0.44) MTNR1ADRD2DRD4DRD3HSD11B1
SCHEMBL823088 0.86 MTNR1A (0.44) MTNR1ADRD2DRD4DRD3HSD11B1

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-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 WO 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 MTNR1A 4534/4885CCKAR 3956/4885KLK7 3089/4885

“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.