SCHEMBL820465

SCHEMBL820465

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
AURKA O14965 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NTRK1 P04629 2/20 0.35
MAP2K1 Q02750 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
DRD4 P21917 6/20 0.34
DRD3 P35462 6/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
DRD2 P14416 5/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC16A1 P53985 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR4 P22455 1/20 0.33
PIK3CD O00329 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
SCHEMBL818673 1.00 MTNR1A (0.39) MTNR1AAURKAHCRTR1HCRTR2NTRK1
SCHEMBL820496 0.85 SSTR3 (0.35) MTNR1AHCRTR1HCRTR2CYP3A4
SCHEMBL818315 0.80 AURKA (0.32) MTNR1AAURKAHCRTR1HCRTR2NTRK1
SCHEMBL13787025 0.80 AURKA (0.32) MTNR1AAURKAHCRTR1HCRTR2NTRK1
SCHEMBL818314 0.80 HCRTR1 (0.31) MTNR1AHCRTR1HCRTR2
SCHEMBL820497 0.80 AURKA (0.32) MTNR1AAURKAHCRTR1HCRTR2NTRK1
SCHEMBL820249 0.78 MET (0.41) MTNR1AHCRTR1HCRTR2DRD4DRD3
SCHEMBL818205 0.78 MET (0.41) MTNR1AHCRTR1HCRTR2DRD4DRD3
SCHEMBL823072 0.74 XIAP (0.43) MTNR1AMAP2K1GPR84CYP3A4CYP2C9
SCHEMBL818633 0.74 XIAP (0.43) MTNR1AMAP2K1GPR84CYP3A4CYP2C9

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 MTNR1A 4534/4885AURKA 1959/4885HCRTR1 4617/4885

“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.