SCHEMBL3620329

SCHEMBL3620329

CC(C)(C)OC(=O)C(C)(C)C(N)(O)c1nc2ncccc2o1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.39
DAGLA Q9Y4D2 7/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL3622707 0.77 FAAH (0.43) FAAHDAGLAPOLBTP53MAPT
SCHEMBL5522225 0.77 FAAH (0.43) FAAHDAGLAPOLBTP53MAPT
SCHEMBL7261195 0.74 FAAH (0.43) FAAHDAGLANPC1RAB9ATP53
SCHEMBL5489548 0.73 FAAH (0.44) FAAHDAGLANPC1RAB9APOLB
SCHEMBL5489544 0.73 FAAH (0.44) FAAHDAGLANPC1RAB9APOLB
SCHEMBL5417771 0.72 FAAH (0.41) FAAH
SCHEMBL38654805 0.72 FAAH (0.47) FAAHDAGLANPC1RAB9APOLB
SCHEMBL10220689 0.71 NPC1 (0.46) FAAHDAGLANPC1RAB9ATP53
SCHEMBL38656136 0.70 FAAH (0.45) FAAHDAGLANPC1RAB9APOLB
SCHEMBL5420107 0.69 FAAH (0.56) FAAHDAGLA

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
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 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 (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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS FAAH 341/4885DAGLA 1536/4885NPC1 264/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS FAAH 856/4885DAGLA 2816/4885NPC1 284/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE FAAH 213/4885DAGLA 756/4885NPC1 123/4885

“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.