SCHEMBL820496

SCHEMBL820496

CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](OC(C)=O)C[C@H]1Cc1c[nH]c2ncccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.35
MTNR1A P48039 1/20 0.35
ELANE P08246 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KLK7 P49862 1/20 0.33
TACR1 P25103 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CYP3A4 P08684 1/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL818314 0.89 HCRTR1 (0.31) MTNR1AHCRTR1HCRTR2
SCHEMBL818315 0.89 AURKA (0.32) MTNR1AHCRTR1HCRTR2
SCHEMBL820497 0.89 AURKA (0.32) MTNR1AHCRTR1HCRTR2
SCHEMBL13787025 0.89 AURKA (0.32) MTNR1AHCRTR1HCRTR2
SCHEMBL820465 0.85 MTNR1A (0.39) MTNR1ACYP3A4HCRTR1HCRTR2
SCHEMBL818673 0.85 MTNR1A (0.39) MTNR1ACYP3A4HCRTR1HCRTR2
SCHEMBL820499 0.79 AURKA (0.33) MTNR1ACYP3A4
SCHEMBL13787003 0.79 ELANE (0.33) ELANE
SCHEMBL823072 0.77 XIAP (0.43) MTNR1ACYP3A4
SCHEMBL818633 0.77 XIAP (0.43) 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 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 SSTR3 4585/4885MTNR1A 4534/4885ELANE 616/4885

“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.