SCHEMBL13622786

SCHEMBL13622786

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nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.55
PER2 O15055 1/20 0.37
CRY2 Q49AN0 1/20 0.37
GRM2 Q14416 2/20 0.34
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31

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
SCHEMBL8282119 1.00 PIK3CD (0.55) PIK3CDPER2CRY2GRM2GRIN1
SCHEMBL8282110 0.79 SMN1; SMN2 (0.38) PER2CRY2
SCHEMBL8045418 0.77 PIK3CD (0.46) PIK3CDPER2CRY2
SCHEMBL8282953 0.76 PER2 (0.40) PER2CRY2
SCHEMBL13622779 0.76 PER2 (0.40) PER2CRY2
SCHEMBL8240286 0.75 PIK3CD (0.63) PIK3CDPER2CRY2GRM2GRIN1
SCHEMBL13804489 0.72 PIK3CD (0.59) PIK3CDPER2CRY2GRM2GRIN1
SCHEMBL8282897 0.72 PIK3CD (1.00) PIK3CDPER2CRY2GRM2GRIN1
SCHEMBL13791864 0.71 PIK3CD (0.62) PIK3CDPER2CRY2GRM2GRIN1
SCHEMBL12228958 0.70 PIK3CD (0.59) PIK3CDPER2CRY2GRM2GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB PIK3CD 850/4885PER2 1963/4885CRY2 3659/4885

“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.