SCHEMBL820249

SCHEMBL820249

CC(=O)O[C@H]1C[C@@H](Cc2c[nH]c3ncccc23)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
TGM2 P21980 1/20 0.41
MTNR1A P48039 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ITGB1 P05556 9/20 0.39
ITGA5 P08648 9/20 0.39
ITGB3 P05106 5/20 0.39
ITGAV P06756 5/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ITGB5 P18084 4/20 0.38
ITGA2B P08514 2/20 0.38
CTSK P43235 2/20 0.38
NPC1L1 Q9UHC9 1/20 0.38
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL818205 1.00 MET (0.41) METTGM2MTNR1AHCRTR1HCRTR2
SCHEMBL820565 0.88 ERAP2 (0.43)
SCHEMBL10109808 0.87 MET (0.45) METTGM2MTNR1ADRD2DRD4
SCHEMBL374971 0.87 MET (0.45) METTGM2MTNR1ADRD2DRD4
SCHEMBL820242 0.87 MET (0.45) METTGM2MTNR1ADRD2DRD4
SCHEMBL820247 0.87 MET (0.45) METTGM2MTNR1ADRD2DRD4
SCHEMBL820248 0.85 BCHE (0.39) METTGM2ITGB1ITGA5ITGB3
SCHEMBL379870 0.85 BCHE (0.39) METTGM2ITGB1ITGA5ITGB3
SCHEMBL13787023 0.85 BCHE (0.39) METTGM2ITGB1ITGA5ITGB3
SCHEMBL375113 0.82 ELANE (0.38) HCRTR1HCRTR2ITGB1ITGA5ITGB3

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 MET 4492/4885TGM2 2575/4885MTNR1A 4534/4885

“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.