SCHEMBL820269

SCHEMBL820269

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
DRD4 P21917 10/20 0.37
DRD3 P35462 8/20 0.37
DRD2 P14416 7/20 0.37
HSD11B1 P28845 3/20 0.37
GPR84 Q9NQS5 1/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
NTRK1 P04629 1/20 0.34
MAP2K1 Q02750 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
SCHEMBL819551 1.00 MTNR1A (0.42) MTNR1ADRD4DRD3DRD2HSD11B1
SCHEMBL820264 0.89 MTNR1A (0.41) MTNR1ADRD4DRD3DRD2HSD11B1
SCHEMBL819921 0.86 MTNR1A (0.38) MTNR1ADRD4DRD3DRD2HSD11B1
SCHEMBL823066 0.86 MTNR1A (0.38) MTNR1ADRD4DRD3DRD2HSD11B1
SCHEMBL819272 0.85 MTNR1A (0.44) MTNR1ADRD4DRD3DRD2HSD11B1
SCHEMBL823088 0.85 MTNR1A (0.44) MTNR1ADRD4DRD3DRD2HSD11B1
SCHEMBL818170 0.84 XIAP (0.41) MTNR1ACYP3A4
SCHEMBL823086 0.84 XIAP (0.41) MTNR1ACYP3A4
SCHEMBL820272 0.84 MTNR1A (0.37) MTNR1ADRD4DRD3DRD2HSD11B1
SCHEMBL818000 0.80 XIAP (0.36) MTNR1ADRD4DRD3DRD2HSD11B1

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 3 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
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 4534/4885DRD4 4782/4885DRD3 4849/4885

“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.