SCHEMBL820692

SCHEMBL820692

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
TACR1 P25103 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL820292 0.90 SCN9A (0.37) SCN9ATACR1PDE4APDE4BPDE4C
SCHEMBL820536 0.89 PDE4D (0.31) PDE4APDE4BPDE4CPDE4D
SCHEMBL823076 0.88 XIAP (0.41)
SCHEMBL15501147 0.87 BIRC3 (0.39)
SCHEMBL12405720 0.87 BIRC3 (0.39)
SCHEMBL820543 0.86 BIRC3 (0.34)
SCHEMBL819050 0.86 BIRC3 (0.34)
SCHEMBL12474013 0.84 BIRC3 (0.38)
SCHEMBL820694 0.84 HTR2A (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL375340 0.83 GPR84 (0.37) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 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 (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 SCN9A 2532/4885TACR1 4669/4885PDE4A 2788/4885

“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.