SCHEMBL820694

SCHEMBL820694

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.37
HTR2C P28335 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
SOS1 Q07889 1/20 0.36
MAPK1 P28482 2/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
KCNH2 Q12809 1/20 0.35
MPO P05164 3/20 0.35
SLC6A4 P31645 3/20 0.35
GPR84 Q9NQS5 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
NOTUM Q6P988 1/20 0.34
HTR1A P08908 1/20 0.34
SPR P35270 1/20 0.34
MEN1 O00255 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
SCHEMBL817778 0.88 HTR2A (0.39) HTR2AHTR2CPDE4APDE4BPDE4C
SCHEMBL820527 0.88 HTR2A (0.39) HTR2AHTR2CPDE4APDE4BPDE4C
SCHEMBL15501198 0.85 BIRC3 (0.40)
SCHEMBL12405725 0.85 BIRC3 (0.40)
SCHEMBL15501146 0.85 BIRC3 (0.40)
SCHEMBL823076 0.85 XIAP (0.41)
SCHEMBL820692 0.84 SCN9A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL820542 0.84 BIRC3 (0.33)
SCHEMBL818763 0.84 BIRC3 (0.33)
SCHEMBL16508926 0.81 BIRC3 (0.37)

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 2 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

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 4883/4885PDE4A 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.