SCHEMBL8282177

SCHEMBL8282177

CC(C)CN1CC(C)(C)OC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 1.00
GRIN1 Q05586 4/20 0.35
GRIN2B Q13224 4/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL15354755 0.84 PIK3CD (0.72) PIK3CDGRIN1GRIN2BTP53MDM2
SCHEMBL15354726 0.84 PIK3CD (0.72) PIK3CDGRIN1GRIN2BTP53MDM2
SCHEMBL12058789 0.81 PIK3CD (0.69) PIK3CDGRIN1GRIN2BTP53MDM2
SCHEMBL14584380 0.81 PIK3CD (0.69) PIK3CDPOLBCHRNA7
SCHEMBL18881211 0.81 PIK3CD (0.68) PIK3CDGRIN1GRIN2BTP53MDM2
SCHEMBL31693565 0.80 PIK3CD (0.67) PIK3CDGRIN1GRIN2BCHRNA7
SCHEMBL23518055 0.79 PIK3CD (0.65) PIK3CDGRIN1GRIN2BTP53MDM2
SCHEMBL23518166 0.79 PIK3CD (0.65) PIK3CDGRIN1GRIN2BTP53MDM2
SCHEMBL6551753 0.78 PIK3CD (0.63) PIK3CDGRIN1GRIN2BCHRNA7
SCHEMBL12040109 0.76 PIK3CD (0.61) PIK3CDGRIN1GRIN2BTP53MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 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 (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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 PIK3CD 14/4885GRIN1 730/4885GRIN2B 1636/4885
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB PIK3CD 850/4885GRIN1 4710/4885GRIN2B 4773/4885

“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.