SCHEMBL10127375

SCHEMBL10127375

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@H]21)C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 19/20 0.59
XIAP P98170 16/20 0.59
BIRC3 Q13489 1/20 0.47

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
SCHEMBL19309145 0.99 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL20334443 0.99 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL2731929 0.99 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL18494147 0.99 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL2731493 0.99 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL20231032 0.99 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL2731933 0.99 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL2731495 0.99 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL12568679 0.99 BIRC2 (0.58) BIRC2XIAPBIRC3
SCHEMBL728740 0.99 BIRC2 (0.58) BIRC2XIAPBIRC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 US disclosed
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 US disclosed
US-20110281875-A1 Inhibitors of IAP NOVARTIS AG (CH) 2011-11-17 US disclosed
US-20110281875-A1 Inhibitors of IAP NOVARTIS AG (CH) 2011-11-17 US disclosed
EP-2065368-A1 Inhibitors of IAP Novartis Ag (CH) 2009-06-03 EP disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 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 (3 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-20080242658-A1 Inhibitors of Iap XIAP, BIRC2, BIRC5 BIRC2 2/4885XIAP 1/4885BIRC3 5/4885
US-20110281875-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 BIRC2 2/4885XIAP 5/4885BIRC3 6/4885
US-20120207769-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 BIRC2 2/4885XIAP 5/4885BIRC3 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.