SCHEMBL375220

SCHEMBL375220

CC1CCN(C(=O)OC(C)(C)C)C1Cc1c[nH]c2cc(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
POLB P06746 1/20 0.39
SLC6A4 P31645 3/20 0.38
HTR2A P28223 1/20 0.38
DRD2 P14416 1/20 0.38
BRD3 Q15059 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HTR1A P08908 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
MAPK1 P28482 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36

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
SCHEMBL820521 1.00 GPR84 (0.41) GPR84POLBSLC6A4HTR2ADRD2
SCHEMBL374903 0.91 GPR84 (0.40) GPR84POLBSLC6A4HTR2ADRD2
SCHEMBL375340 0.88 GPR84 (0.37) GPR84POLBSLC6A4HTR2ADRD2
SCHEMBL15512736 0.87 GPR84 (0.45) GPR84SLC6A4HTR2ADRD2HTR1A
SCHEMBL12037508 0.84 HTR1B (0.43) GPR84HTR2ADRD2BRD3HTR1A
SCHEMBL2453968 0.84 HTR1B (0.43) GPR84HTR2ADRD2BRD3HTR1A
SCHEMBL820292 0.82 SCN9A (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL820527 0.80 HTR2A (0.39) GPR84SLC6A4HTR2ADRD2PDE4A
SCHEMBL817778 0.80 HTR2A (0.39) GPR84SLC6A4HTR2ADRD2PDE4A
SCHEMBL820688 0.79 GPR119 (0.36) BRD3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2242362-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2010-10-27 EP disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 WO disclosed
EP-2049563-A2 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-04-22 EP disclosed
WO-2008014263-A2 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-01-31 WO 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 3704/4885POLB 3555/4885SLC6A4 4756/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 GPR84 3290/4885POLB 3282/4885SLC6A4 4770/4885
US-20110305777-A1 DIMERIC IAP ANTAGONISTS BIRC2, BIRC7, BIRC8 GPR84 2656/4885POLB 4023/4885SLC6A4 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.