SCHEMBL820693

SCHEMBL820693

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
SLC6A4 P31645 3/20 0.42
HTR2A P28223 2/20 0.41
HTR1A P08908 1/20 0.40
MAPK1 P28482 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NOTUM Q6P988 1/20 0.38
ADAM17 P78536 1/20 0.38
TSHR P16473 1/20 0.37
HTR6 P50406 3/20 0.36
TDO2 P48775 1/20 0.36
MPO P05164 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
SCHEMBL818239 0.84 HTR6 (0.49) SLC6A4TSHRHTR6
SCHEMBL823067 0.84 HTR6 (0.49) SLC6A4TSHRHTR6
SCHEMBL12405713 0.81 XIAP (0.40) HTR2A
SCHEMBL375087 0.79 GPR84 (0.52) GPR84SLC6A4HTR2AHTR1AMAPK1
SCHEMBL820506 0.79 GPR84 (0.52) GPR84SLC6A4HTR2AHTR1AMAPK1
SCHEMBL820539 0.79 HTR2A (0.35) HTR2AMAPK1
SCHEMBL818116 0.79 HTR2A (0.35) HTR2AMAPK1
SCHEMBL820684 0.74 MTNR1A (0.48) GPR84SLC6A4HTR2AHTR1AMTNR1A
SCHEMBL818489 0.74 MTNR1A (0.48) GPR84SLC6A4HTR2AHTR1AMTNR1A
SCHEMBL375340 0.74 GPR84 (0.37) GPR84SLC6A4HTR2AHTR1AMTNR1A

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 11 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
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
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 3704/4885SLC6A4 4756/4885HTR2A 3777/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 GPR84 3290/4885SLC6A4 4770/4885HTR2A 4844/4885
US-20110305777-A1 DIMERIC IAP ANTAGONISTS BIRC2, BIRC7, BIRC8 GPR84 2656/4885SLC6A4 4684/4885HTR2A 2671/4885

“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.