SCHEMBL374903

SCHEMBL374903

CC(C)(C)OC(=O)N1CC[C@H](O)[C@H]1Cc1c[nH]c2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
DRD2 P14416 3/20 0.39
SLC6A4 P31645 2/20 0.39
POLB P06746 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 3/20 0.37
TDO2 P48775 2/20 0.37
DRD4 P21917 1/20 0.37
HTR7 P34969 2/20 0.37
KCNH2 Q12809 2/20 0.37
BRD3 Q15059 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
SCHEMBL375220 0.91 GPR84 (0.41) GPR84DRD2SLC6A4POLBALKBH5
SCHEMBL820521 0.91 GPR84 (0.41) GPR84DRD2SLC6A4POLBALKBH5
SCHEMBL375340 0.87 GPR84 (0.37) GPR84DRD2SLC6A4POLBHTR2A
SCHEMBL819282 0.86 POLB (0.52) DRD2POLBALDH1A1KMT2ADRD4
SCHEMBL823070 0.86 POLB (0.52) DRD2POLBALDH1A1KMT2ADRD4
SCHEMBL2453968 0.83 HTR1B (0.43) GPR84DRD2HTR2AHTR7BRD3
SCHEMBL12037508 0.83 HTR1B (0.43) GPR84DRD2HTR2AHTR7BRD3
SCHEMBL819716 0.79 GPR119 (0.35) BRD3
SCHEMBL15512736 0.78 GPR84 (0.45) GPR84DRD2SLC6A4ALKBH5FTO
SCHEMBL2631835 0.77 TDO2 (0.35) DRD2SLC6A4ALDH1A1HTR2ATDO2

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 17 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
EP-2049563-B1 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARM CORP (US) 2014-03-12 EP disclosed
EP-2409984-A1 Dimeric IAP Antagonists TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2012-01-25 EP disclosed
EP-2409984-A1 Dimeric IAP Antagonists TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2012-01-25 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-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-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
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
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 GPR84 3704/4885DRD2 4800/4885SLC6A4 4756/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 GPR84 3290/4885DRD2 4871/4885SLC6A4 4770/4885
US-20110305777-A1 DIMERIC IAP ANTAGONISTS BIRC2, BIRC7, BIRC8 GPR84 2656/4885DRD2 4515/4885SLC6A4 4684/4885

“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.