SCHEMBL8210282

SCHEMBL8210282

COC(=O)[C@@H]1C[C@@H](Oc2cc3ccccc3nc2Cl)CN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
UCHL1 P09936 1/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MCL1 Q07820 7/20 0.37
POLB P06746 2/20 0.37
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4B Q07343 1/20 0.36
BACE1 P56817 1/20 0.36
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35

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
SCHEMBL6864073 0.86 P2RX3 (0.48) P2RX3MEN1KMT2AUCHL1NR1H2
SCHEMBL4406698 0.82 UCHL1 (0.49) P2RX3UCHL1MCL1
SCHEMBL8246971 0.82 UCHL1 (0.49) P2RX3UCHL1MCL1
SCHEMBL8262083 0.81 P2RX3 (0.44) P2RX3MEN1KMT2AUCHL1NR1H2
SCHEMBL27589062 0.81 P2RX3 (0.44) P2RX3MEN1KMT2AUCHL1NR1H2
SCHEMBL16077808 0.80 P2RX3 (0.49) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL2434896 0.79 P2RX3 (0.50) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL7882446 0.79 UCHL1 (0.41) P2RX3MEN1KMT2AUCHL1NR1H2
SCHEMBL15984475 0.79 P2RX3 (0.45) P2RX3MEN1KMT2AUCHL1NR1H2
SCHEMBL7816870 0.79 P2RX3 (0.44) P2RX3UCHL1NR1H2NR1H3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 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 (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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC P2RX3 3516/4885MEN1 4761/4885KMT2A 3629/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC P2RX3 3516/4885MEN1 4761/4885KMT2A 3629/4885
US-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 P2RX3 3817/4885MEN1 3427/4885KMT2A 2619/4885

“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.