SCHEMBL820272

SCHEMBL820272

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
NTRK1 P04629 2/20 0.34
HSD11B1 P28845 3/20 0.33
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
DRD3 P35462 3/20 0.33
AXL P30530 7/20 0.33
CASP9 P55211 1/20 0.33
XIAP P98170 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC16A1 P53985 1/20 0.32
MAP2K1 Q02750 1/20 0.32
BCHE P06276 1/20 0.32

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 0.92 XIAP (0.36) MTNR1ANTRK1HSD11B1DRD2DRD4
SCHEMBL823087 0.92 XIAP (0.36) MTNR1ANTRK1HSD11B1DRD2DRD4
SCHEMBL818170 0.90 XIAP (0.41) MTNR1ACASP9XIAPCYP3A4CYP2C9
SCHEMBL823086 0.90 XIAP (0.41) MTNR1ACASP9XIAPCYP3A4CYP2C9
SCHEMBL820264 0.88 MTNR1A (0.41) MTNR1ANTRK1HSD11B1DRD2DRD4
SCHEMBL823066 0.87 MTNR1A (0.38) MTNR1AHSD11B1DRD2DRD4DRD3
SCHEMBL819921 0.87 MTNR1A (0.38) MTNR1AHSD11B1DRD2DRD4DRD3
SCHEMBL817999 0.86 MTNR1A (0.34) MTNR1ANTRK1HSD11B1DRD2DRD4
SCHEMBL820269 0.84 MTNR1A (0.42) MTNR1ANTRK1HSD11B1DRD2DRD4
SCHEMBL819551 0.84 MTNR1A (0.42) MTNR1ANTRK1HSD11B1DRD2DRD4

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-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 MTNR1A 4534/4885NTRK1 4793/4885HSD11B1 4278/4885

“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.