SCHEMBL820527

SCHEMBL820527

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 2/20 0.37
SOS1 Q07889 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
SLC6A4 P31645 3/20 0.37
DRD2 P14416 2/20 0.37
HTR7 P34969 1/20 0.37
KCNH2 Q12809 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDO2 P48775 1/20 0.35
ADAM17 P78536 1/20 0.35
MPO P05164 1/20 0.35

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
SCHEMBL817778 1.00 HTR2A (0.39) HTR2AHTR2CMAPK1SOS1GPR84
SCHEMBL820694 0.88 HTR2A (0.37) HTR2AHTR2CMAPK1SOS1GPR84
SCHEMBL823060 0.84 XIAP (0.42)
SCHEMBL820292 0.84 SCN9A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL15512736 0.82 GPR84 (0.45) HTR2AMAPK1GPR84SLC6A4DRD2
SCHEMBL820521 0.80 GPR84 (0.41) HTR2AMAPK1GPR84SLC6A4DRD2
SCHEMBL375220 0.80 GPR84 (0.41) HTR2AMAPK1GPR84SLC6A4DRD2
SCHEMBL820871 0.79 DRD2 (0.32) HTR2ADRD2HTR7KCNH2PDE4A
SCHEMBL821708 0.79 DRD2 (0.32) HTR2ADRD2HTR7KCNH2PDE4A
SCHEMBL13787031 0.76 XIAP (0.42)

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 HTR2A 4844/4885HTR2C 4883/4885MAPK1 1961/4885

“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.