SCHEMBL14730353

SCHEMBL14730353

COC(=O)[C@@H]1CC(Oc2nc3cc(OC)ccc3nc2Cl)CN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.48
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 9/20 0.38
BACE1 P56817 1/20 0.38
UCHL1 P09936 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
DYRK1A Q13627 1/20 0.36
PTPN1 P18031 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL29991596 1.00 P2RX3 (0.48) P2RX3KDM4ENPC1RAB9AL3MBTL1
SCHEMBL15987117 1.00 P2RX3 (0.48) P2RX3KDM4ENPC1RAB9AL3MBTL1
SCHEMBL6864274 1.00 P2RX3 (0.48) P2RX3KDM4ENPC1RAB9AL3MBTL1
SCHEMBL3704769 0.93 P2RX3 (0.42) P2RX3KDM4ENPC1RAB9AL3MBTL1
SCHEMBL16077808 0.91 P2RX3 (0.49) P2RX3L3MBTL1MCL1BACE1UCHL1
SCHEMBL13395392 0.91 P2RX3 (0.46) P2RX3KDM4ENPC1RAB9AL3MBTL1
SCHEMBL29716162 0.91 P2RX3 (0.46) P2RX3KDM4ENPC1RAB9AL3MBTL1
SCHEMBL15984475 0.90 P2RX3 (0.45) P2RX3L3MBTL1MCL1BACE1UCHL1
SCHEMBL6864073 0.90 P2RX3 (0.48) P2RX3MCL1BACE1UCHL1NR1H2
SCHEMBL16077798 0.89 P2RX3 (0.45) P2RX3L3MBTL1BACE1UCHL1NR1H2

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
EP-2744336-B1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME (US) 2017-07-05 EP disclosed
US-9238604-B2 Process and intermediates for preparing macrolactams MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
WO-2015095437-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
US-20140200343-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
WO-2013028470-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2013-02-28 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 (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-20140200343-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS EMG1, RCE1, CYP51A1 P2RX3 3892/4885KDM4E 2734/4885NPC1 286/4885

“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.