SCHEMBL3748218

SCHEMBL3748218

COC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.47
WDR77 Q9BQA1 4/20 0.47
ESR2 Q92731 1/20 0.46
UCHL1 P09936 1/20 0.45
NR1H2 P55055 2/20 0.45
MAPK1 P28482 1/20 0.45
NAMPT P43490 4/20 0.44
NR1H3 Q13133 1/20 0.43
ABHD6 Q9BV23 1/20 0.42
NOTUM Q6P988 1/20 0.41
PTPN1 P18031 1/20 0.41
HPGDS O60760 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL2612174 1.00 PRMT5 (0.47) PRMT5WDR77ESR2UCHL1NR1H2
SCHEMBL4413682 0.94 NAMPT (0.47) PRMT5WDR77UCHL1NR1H2MAPK1
SCHEMBL8191840 0.94 NAMPT (0.47) PRMT5WDR77UCHL1NR1H2MAPK1
SCHEMBL13573806 0.94 NAMPT (0.47) PRMT5WDR77UCHL1NR1H2MAPK1
SCHEMBL2100310 0.90 PRMT5 (0.48) PRMT5WDR77ESR2UCHL1NR1H2
SCHEMBL3739001 0.90 PRMT5 (0.48) PRMT5WDR77ESR2UCHL1NR1H2
SCHEMBL8262160 0.89 UCHL1 (0.42) PRMT5WDR77ESR2UCHL1NR1H2
SCHEMBL8262167 0.86 PRMT5 (0.42) PRMT5WDR77ESR2UCHL1NR1H2
SCHEMBL7850122 0.85 ABHD6 (0.42) PRMT5WDR77ABHD6NOTUMNPC1
SCHEMBL8276965 0.85 UCHL1 (0.43) PRMT5WDR77ESR2UCHL1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435984-B2 Tertiary amine substituted peptides useful as inhibitors of HCV replication ACHILLION PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-8435984-B2 Tertiary amine substituted peptides useful as inhibitors of HCV replication ACHILLION PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
EP-2495249-A1 Tertiary amine substituted peptides useful as inhibitors of HCV replication Achillion Pharmaceuticals, Inc. (US) 2012-09-05 EP disclosed
US-20100292219-A1 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292219-A1 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
EP-2125113-A2 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION Achillion Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
EP-1773868-B1 SUBSTITUTED PROLINES AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2009-07-15 EP disclosed
WO-2008106130-A2 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
US-7399749-B2 Substituted prolines as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-07-15 US disclosed
US-7399749-B2 Substituted prolines as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-07-15 US disclosed
WO-2005113581-A1 SUBSTITUTED PROLINES AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-12-01 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-20100292219-A1 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION RTF2, RFC5, EIF2AK2 PRMT5 48/4885WDR77 1758/4885ESR2 2503/4885

“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.