SCHEMBL12467460

SCHEMBL12467460

CC(C)[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(F)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.42
CASP9 P55211 1/20 0.42
BIRC2 Q13490 13/20 0.41
BIRC3 Q13489 9/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 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
SCHEMBL3819039 0.91 MAPT (0.45) XIAPCASP9BIRC2BIRC3MAPT
SCHEMBL12467254 0.89 BIRC2 (0.43) XIAPCASP9BIRC2BIRC3
SCHEMBL3815022 0.88 XIAP (0.47) XIAPCASP9BIRC2BIRC3TSHR
SCHEMBL3819865 0.87 XIAP (0.45) XIAPCASP9BIRC2BIRC3TSHR
SCHEMBL3820143 0.86 XIAP (0.43) XIAPCASP9BIRC2BIRC3TSHR
SCHEMBL4902289 0.85 XIAP (0.44) XIAPCASP9BIRC2BIRC3TSHR
SCHEMBL12725500 0.85 XIAP (0.43) XIAPCASP9BIRC2BIRC3TSHR
SCHEMBL1635019 0.85 XIAP (0.43) XIAPCASP9BIRC2BIRC3TSHR
SCHEMBL1635017 0.85 XIAP (0.43) XIAPCASP9BIRC2BIRC3TSHR
SCHEMBL13718219 0.85 XIAP (0.55) XIAPCASP9BIRC2BIRC3

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 5 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
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 8/4885CASP9 49/4885BIRC2 5/4885
US-20110183955-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators API5, BCL2, BIRC5 XIAP 8/4885CASP9 49/4885BIRC2 5/4885

“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.