SCHEMBL820247

SCHEMBL820247

O=C(OCc1ccccc1)N1C[C@@H](O)C[C@H]1Cc1c[nH]c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.45
POLB P06746 1/20 0.44
TGM2 P21980 1/20 0.43
DRD4 P21917 3/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
JAK2 O60674 5/20 0.40
JAK1 P23458 5/20 0.40
ADORA2A P29274 1/20 0.39
GRIN2B Q13224 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
MTNR1A P48039 1/20 0.39
NPC1L1 Q9UHC9 1/20 0.38
TYK2 P29597 3/20 0.38
JAK3 P52333 3/20 0.38

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
SCHEMBL820242 1.00 MET (0.45) METPOLBTGM2DRD4DRD2
SCHEMBL10109808 1.00 MET (0.45) METPOLBTGM2DRD4DRD2
SCHEMBL374971 1.00 MET (0.45) METPOLBTGM2DRD4DRD2
SCHEMBL818205 0.87 MET (0.41) METPOLBTGM2DRD4DRD2
SCHEMBL820249 0.87 MET (0.41) METPOLBTGM2DRD4DRD2
SCHEMBL820255 0.84 DRD2 (0.46) METTGM2DRD4DRD2DRD3
SCHEMBL27821707 0.84 DRD2 (0.46) METTGM2DRD4DRD2DRD3
SCHEMBL379870 0.80 BCHE (0.39) METPOLBTGM2
SCHEMBL13787023 0.80 BCHE (0.39) METPOLBTGM2
SCHEMBL820248 0.80 BCHE (0.39) METPOLBTGM2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049563-B1 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARM CORP (US) 2014-03-12 EP disclosed
US-20110305777-A1 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-15 US disclosed
US-20110305777-A1 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-15 US disclosed
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
US-7985735-B2 mimetics of the activity of the N-terminal portion of Smac/tertiary binding structure to IAPs, can be combined with chemotherapeutic agents like topoisomerase inhibitors, kinase inhibitors, NSAIDs, taxanes and platinum containing compounds; increased cell permeability, water solubility; antitumor agents TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-07-26 US disclosed
US-7985735-B2 mimetics of the activity of the N-terminal portion of Smac/tertiary binding structure to IAPs, can be combined with chemotherapeutic agents like topoisomerase inhibitors, kinase inhibitors, NSAIDs, taxanes and platinum containing compounds; increased cell permeability, water solubility; antitumor agents TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-07-26 US disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 WO disclosed
US-20080020986-A1 DIMERIC IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2008-01-24 US disclosed
US-20080020986-A1 DIMERIC IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2008-01-24 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 (3 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-20080020986-A1 DIMERIC IAP INHIBITORS BIRC2, BIRC7, BIRC8 MET 3562/4885POLB 3555/4885TGM2 1840/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 MET 4492/4885POLB 3282/4885TGM2 2575/4885
US-20110305777-A1 DIMERIC IAP ANTAGONISTS BIRC2, BIRC7, BIRC8 MET 3812/4885POLB 4023/4885TGM2 1995/4885

“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.