SCHEMBL820181

SCHEMBL820181

CC(C)C(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(=O)N1CC(O)CC1Cc1c[nH]c2ncccc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.35
AURKA O14965 1/20 0.33
MTNR1A P48039 1/20 0.33
XIAP P98170 1/20 0.32
BIRC3 Q13489 1/20 0.32
BIRC2 Q13490 1/20 0.32
BIRC7 Q96CA5 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
SLC16A1 P53985 2/20 0.32
BCHE P06276 1/20 0.31
TGM2 P21980 1/20 0.31
HSD11B1 P28845 2/20 0.31
BACE1 P56817 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL820499 0.94 AURKA (0.33) NTRK1AURKAMTNR1AXIAPBIRC3
SCHEMBL818315 0.84 AURKA (0.32) NTRK1AURKAMTNR1A
SCHEMBL820497 0.84 AURKA (0.32) NTRK1AURKAMTNR1A
SCHEMBL13787025 0.84 AURKA (0.32) NTRK1AURKAMTNR1A
SCHEMBL818633 0.78 XIAP (0.43) MTNR1AXIAPBIRC3BIRC2BIRC7
SCHEMBL823072 0.78 XIAP (0.43) MTNR1AXIAPBIRC3BIRC2BIRC7
SCHEMBL818000 0.75 XIAP (0.36) NTRK1AURKAMTNR1AXIAPBIRC3
SCHEMBL823087 0.75 XIAP (0.36) NTRK1AURKAMTNR1AXIAPBIRC3
SCHEMBL13787021 0.74
SCHEMBL820496 0.72 SSTR3 (0.35) MTNR1ACYP3A4

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 NTRK1 4793/4885AURKA 1959/4885MTNR1A 4534/4885

“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.