SCHEMBL823089

SCHEMBL823089

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H](O)[C@H]1Cc1c[nH]c2ncccc12)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 9/20 0.38
XIAP P98170 8/20 0.38
BIRC3 Q13489 5/20 0.38
CASP9 P55211 1/20 0.38
CYP3A4 P08684 5/20 0.38
TNF P01375 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CYP2C9 P11712 2/20 0.37
SLC16A1 P53985 1/20 0.37

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
SCHEMBL819268 1.00 BIRC2 (0.38) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL818170 0.88 XIAP (0.41) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL823086 0.88 XIAP (0.41) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL820264 0.79 MTNR1A (0.41) CYP3A4DRD2DRD4DRD3CYP2C9
SCHEMBL820272 0.79 MTNR1A (0.37) XIAPCASP9CYP3A4DRD2DRD4
SCHEMBL817999 0.78 MTNR1A (0.34) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL28789671 0.78 DRD4 (0.47) CYP3A4DRD2DRD4DRD3
SCHEMBL818209 0.78 DRD4 (0.43) DRD2DRD4DRD3
SCHEMBL823068 0.78 DRD4 (0.43) DRD2DRD4DRD3
SCHEMBL823066 0.76 MTNR1A (0.38) DRD2DRD4DRD3

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
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 BIRC2 4/4885XIAP 1/4885BIRC3 6/4885

“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.