SCHEMBL380513

SCHEMBL380513

CN[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cncc(Oc3ccc(F)cc3)c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.40
P2RX3 P56373 5/20 0.39
BACE1 P56817 1/20 0.37
CTRC Q99895 1/20 0.36
S1PR1 P21453 1/20 0.36
BIRC2 Q13490 1/20 0.36

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
SCHEMBL381207 1.00 ELANE (0.40) ELANEP2RX3BACE1CTRCS1PR1
SCHEMBL380328 0.96 P2RX3 (0.38) ELANEP2RX3BACE1
SCHEMBL380488 0.96 P2RX3 (0.38) ELANEP2RX3BACE1
SCHEMBL1323907 0.90 P2RX3 (0.36) P2RX3BIRC2
SCHEMBL1323904 0.90 P2RX3 (0.36) P2RX3BIRC2
SCHEMBL2315997 0.89 ELANE (0.41) ELANEBACE1CTRC
SCHEMBL2316006 0.89 ELANE (0.41) ELANEBACE1CTRC
SCHEMBL14163221 0.87 P2RX3 (0.43) P2RX3BACE1
SCHEMBL412913 0.86 P2RX3 (0.40) P2RX3BACE1
SCHEMBL381915 0.86 ELANE (0.40) ELANEBIRC2

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
EP-2086938-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-01-25 EP claimed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US claimed
EP-2086938-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2009-08-12 EP claimed
WO-2008073306-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-06-19 WO claimed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 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 (1 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-20100048571-A1 Organic Compounds XIAP, BAX, MCL1 ELANE 2481/4885P2RX3 4244/4885BACE1 295/4885

“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.