SCHEMBL5426599

SCHEMBL5426599

CC(N)(CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 6/20 0.54
FAAH O00519 2/20 0.54
CES1 P23141 1/20 0.54
XDH P47989 4/20 0.51
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSF1 Q00613 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GLO1 Q04760 1/20 0.41
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
GFER P55789 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
SCHEMBL14562865 1.00 DAGLA (0.54) DAGLAFAAHCES1XDHRAB9A
SCHEMBL14562876 0.86 FAAH (0.47) DAGLAFAAHCES1XDHRAB9A
SCHEMBL5424492 0.86 FAAH (0.47) DAGLAFAAHCES1XDHRAB9A
Hydrochloric Acid SCHEMBL3880655 0.85 FAAH (0.46) DAGLAFAAHCES1XDHRAB9A
Hydrochloric Acid SCHEMBL3880661 0.85 FAAH (0.46) DAGLAFAAHCES1XDHRAB9A
SCHEMBL5421921 0.83 XDH (0.46) DAGLAFAAHCES1XDHRAB9A
SCHEMBL14562866 0.83 XDH (0.46) DAGLAFAAHCES1XDHRAB9A
SCHEMBL11930608 0.76 RAB9A (0.52) DAGLAFAAHCES1XDHRAB9A
SCHEMBL12187893 0.74 FAAH (0.48) DAGLAFAAHCES1XDHRAB9A
SCHEMBL5523159 0.72 DAGLA (0.56) DAGLAFAAHCES1XDHRAB9A

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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE DAGLA 1772/4885FAAH 602/4885CES1 154/4885

“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.