SCHEMBL820494

SCHEMBL820494

CC(=O)O[C@@H]1CN[C@H](Cc2c[nH]c3ncccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
GPR84 Q9NQS5 1/20 0.44
MAP2K1 Q02750 1/20 0.42
MET P08581 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR4 P22455 1/20 0.39
CNR2 P34972 1/20 0.38
HTR7 P34969 3/20 0.38
HTR6 P50406 3/20 0.38
HTR2A P28223 2/20 0.38
DRD4 P21917 7/20 0.38
DRD3 P35462 6/20 0.38
DRD2 P14416 5/20 0.38
BCHE P06276 1/20 0.38
SLC6A4 P31645 1/20 0.37
HTR1A P08908 1/20 0.37
NTRK1 P04629 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36

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
SCHEMBL819919 1.00 MTNR1A (0.48) MTNR1AGPR84MAP2K1METFGFR1
SCHEMBL818489 0.77 MTNR1A (0.48) MTNR1AGPR84MAP2K1METFGFR1
SCHEMBL820684 0.77 MTNR1A (0.48) MTNR1AGPR84MAP2K1METFGFR1
SCHEMBL818205 0.72 MET (0.41) MTNR1AMETDRD4DRD3DRD2
SCHEMBL820249 0.72 MET (0.41) MTNR1AMETDRD4DRD3DRD2
SCHEMBL27709894 0.71 MTNR1A (0.61) MTNR1AGPR84MAP2K1METFGFR1
SCHEMBL820465 0.71 MTNR1A (0.39) MTNR1AGPR84MAP2K1FGFR1FGFR4
SCHEMBL818673 0.71 MTNR1A (0.39) MTNR1AGPR84MAP2K1FGFR1FGFR4
SCHEMBL2692513 0.70 GPR84 (0.73) MTNR1AGPR84MAP2K1METFGFR1
SCHEMBL31385845 0.70 GPR84 (0.73) MTNR1AGPR84MAP2K1METFGFR1

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 4534/4885GPR84 3290/4885MAP2K1 3375/4885

“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.