SCHEMBL3820143

SCHEMBL3820143

CC(C)CN1CCN(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)C)[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XIAP P98170 12/20 0.43
BIRC3 Q13489 8/20 0.43
CASP9 P55211 1/20 0.43
BIRC2 Q13490 13/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL12725500 0.92 XIAP (0.43) XIAPBIRC3CASP9BIRC2TSHR
SCHEMBL1635019 0.92 XIAP (0.43) XIAPBIRC3CASP9BIRC2TSHR
SCHEMBL1635017 0.92 XIAP (0.43) XIAPBIRC3CASP9BIRC2TSHR
SCHEMBL3811996 0.90 XIAP (0.46) XIAPBIRC3CASP9BIRC2TSHR
SCHEMBL3815022 0.90 XIAP (0.47) XIAPBIRC3CASP9BIRC2TSHR
SCHEMBL3819865 0.89 XIAP (0.45) XIAPBIRC3CASP9BIRC2TSHR
SCHEMBL4902289 0.87 XIAP (0.44) XIAPBIRC3CASP9BIRC2TSHR
SCHEMBL12467055 0.86 XIAP (0.42) XIAPBIRC3CASP9BIRC2MEN1
SCHEMBL1635042 0.86 XIAP (0.44) XIAPBIRC3CASP9BIRC2TSHR
SCHEMBL12467460 0.86 XIAP (0.42) XIAPBIRC3CASP9BIRC2TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183955-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators NOVARTIS AG (CH) 2011-07-28 US disclosed
US-7932255-B2 Controlling cell proliferation NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932255-B2 Controlling cell proliferation NOVARTIS AG (CH) 2011-04-26 US disclosed
EP-1874748-B1 2 -AMINOCARBONYL SUBSTITUTED PIPERAZINE OR DIAZA-CYCLIC COMPOUNDS AS APOPTOSIS PROTEIN INHIBITOR (IAP) MODULATORS NOVARTIS AG (CH) 2009-08-12 EP disclosed
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators ECKL ROBERT 2008-08-28 US disclosed
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators ECKL ROBERT 2008-08-28 US disclosed
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators ECKL ROBERT 2008-08-28 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 (2 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-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators API5, BCL2, BIRC5 XIAP 8/4885BIRC3 6/4885CASP9 49/4885
US-20110183955-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators API5, BCL2, BIRC5 XIAP 8/4885BIRC3 6/4885CASP9 49/4885

“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.