SCHEMBL1328242

SCHEMBL1328242

CN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cccc(Oc3ccccc3)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.43
CTRC Q99895 2/20 0.42
BIRC2 Q13490 1/20 0.41
FFAR1 O14842 1/20 0.40
FAAH O00519 1/20 0.40
DRD2 P14416 1/20 0.40
XIAP P98170 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
SCHEMBL1328244 1.00 ELANE (0.43) ELANECTRCBIRC2FFAR1FAAH
SCHEMBL2315997 0.95 ELANE (0.41) ELANECTRCDRD2
SCHEMBL2316006 0.95 ELANE (0.41) ELANECTRCDRD2
SCHEMBL3850352 0.91 MMP13 (0.41) ELANECTRCFAAHDRD2
SCHEMBL3850357 0.91 MMP13 (0.41) ELANECTRCFAAHDRD2
SCHEMBL2316545 0.89 PTGER3 (0.46) ELANEBIRC2FFAR1FAAHDRD2
SCHEMBL2316556 0.89 PTGER3 (0.46) ELANEBIRC2FFAR1FAAHDRD2
SCHEMBL12433645 0.88 ELANE (0.42) ELANECTRCFFAR1
SCHEMBL2319040 0.85 PTGER3 (0.41) ELANECTRC
SCHEMBL2319046 0.85 PTGER3 (0.41) ELANECTRC

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 16 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
CN-101193908-B Organic compounds NOVARTIS AG 2012-04-11 CN disclosed
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-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-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
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US disclosed
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 disclosed
WO-2006133147-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-12-14 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 (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 ELANE 2303/4885CTRC 4666/4885BIRC2 17/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 ELANE 2307/4885CTRC 4666/4885BIRC2 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.