SCHEMBL5489544

SCHEMBL5489544

CCCC(O)(NC(=O)OC(C)(C)C)c1nc2ncccc2o1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DAGLA Q9Y4D2 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 4/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL5489548 1.00 FAAH (0.44) FAAHNPC1RAB9ADAGLASMN1; SMN2
SCHEMBL5490451 0.75 RAB9A (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL5490453 0.75 RAB9A (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL3620326 0.74 NPC1 (0.40) FAAHNPC1RAB9ADAGLATP53
SCHEMBL3622707 0.73 FAAH (0.43) FAAHDAGLATP53POLBMAPT
SCHEMBL5522225 0.73 FAAH (0.43) FAAHDAGLATP53POLBMAPT
SCHEMBL3620329 0.73 FAAH (0.39) FAAHNPC1RAB9ADAGLATP53
SCHEMBL12259654 0.73 AKT1 (0.42) FAAHNPC1RAB9ADAGLATP53
SCHEMBL5693650 0.72 HDAC4 (0.43)
SCHEMBL38654805 0.71 FAAH (0.47) FAAHNPC1RAB9ADAGLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 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-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE FAAH 213/4885NPC1 123/4885RAB9A 978/4885

“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.