SCHEMBL2316166

SCHEMBL2316166

CN[C@@H](C)C(=O)Nc1ccc(-c2ccc(F)cc2)n(CCNC2CCCc3ccccc32)c1=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 16/20 0.53
BIRC3 Q13489 5/20 0.42
BIRC2 Q13490 5/20 0.42
DHODH Q02127 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL2316174 1.00 XIAP (0.53) XIAPBIRC3BIRC2DHODHNPSR1
SCHEMBL2318389 0.88 XIAP (0.65) XIAPBIRC3BIRC2DHODH
SCHEMBL2318384 0.88 XIAP (0.65) XIAPBIRC3BIRC2DHODH
SCHEMBL2318884 0.86 XIAP (0.53) XIAPBIRC3BIRC2NPSR1TAS1R3
SCHEMBL3854118 0.86 XIAP (0.53) XIAPBIRC3BIRC2NPSR1TAS1R3
SCHEMBL2319611 0.83 XIAP (0.46) XIAPBIRC3BIRC2
SCHEMBL2319617 0.83 XIAP (0.46) XIAPBIRC3BIRC2
SCHEMBL2319607 0.83 XIAP (0.46) XIAPBIRC3BIRC2
SCHEMBL2315845 0.82 XIAP (0.56) XIAPBIRC3BIRC2NPSR1TAS1R3
SCHEMBL12125932 0.82 XIAP (0.56) XIAPBIRC3BIRC2NPSR1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US claimed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US claimed
EP-1902065-A2 CYCLIC AMIDE DERIVATIVES INHIBITORS OF THE INHIBITOR OF APOPTOSIS PROTEINS, THEIR PREPARATION, AND THEIR USE Novartis AG (CH) 2008-03-26 EP claimed
WO-2006133147-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-12-14 WO claimed
US-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
US-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 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-20090069294-A1 Organic Compounds XIAP, BAX, MCL1 XIAP 1/4885BIRC3 9/4885BIRC2 17/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 XIAP 1/4885BIRC3 9/4885BIRC2 17/4885

“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.