SCHEMBL823087

SCHEMBL823087

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.36
BIRC3 Q13489 1/20 0.36
BIRC2 Q13490 1/20 0.36
MTNR1A P48039 1/20 0.34
CASP9 P55211 1/20 0.32
NTRK1 P04629 2/20 0.32
AXL P30530 2/20 0.31
HSD11B1 P28845 2/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
SLC16A1 P53985 1/20 0.31
AURKA O14965 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 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
SCHEMBL818000 1.00 XIAP (0.36) XIAPBIRC3BIRC2MTNR1ACASP9
SCHEMBL820272 0.92 MTNR1A (0.37) XIAPMTNR1ACASP9NTRK1AXL
SCHEMBL819921 0.88 MTNR1A (0.38) MTNR1AHSD11B1DRD2DRD4DRD3
SCHEMBL823066 0.88 MTNR1A (0.38) MTNR1AHSD11B1DRD2DRD4DRD3
SCHEMBL823086 0.87 XIAP (0.41) XIAPBIRC3BIRC2MTNR1ACASP9
SCHEMBL818170 0.87 XIAP (0.41) XIAPBIRC3BIRC2MTNR1ACASP9
SCHEMBL817999 0.86 MTNR1A (0.34) XIAPBIRC3BIRC2MTNR1ACASP9
SCHEMBL820264 0.84 MTNR1A (0.41) MTNR1ANTRK1HSD11B1DRD2DRD4
SCHEMBL819272 0.81 MTNR1A (0.44) MTNR1AHSD11B1DRD2DRD4DRD3
SCHEMBL823088 0.81 MTNR1A (0.44) MTNR1AHSD11B1DRD2DRD4DRD3

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 XIAP 1/4885BIRC3 6/4885BIRC2 4/4885

“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.