SCHEMBL6849291

SCHEMBL6849291

C=CCC1CCC(=O)C1(N)CC=C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.31
CYP19A1 P11511 3/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL6705302 0.74 GAA (0.32) GAAHPGDMAPK1ALDH1A1CYP19A1
SCHEMBL6706258 0.68 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6705790 0.68 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2046093 0.64 CPT1A (0.33)
SCHEMBL23085927 0.62 MEN1 (0.33) ALDH1A1CYP19A1
SCHEMBL2163195 0.62 GAA (0.37) GAAHPGDMAPK1
SCHEMBL2045943 0.61 CPT1A (0.31)
SCHEMBL2050365 0.61 CPT1A (0.31)
SCHEMBL30751 0.61 GAA (0.43) GAAHPGDMAPK1NOS3NOS1
SCHEMBL8068025 0.60 ALDH1A1 (0.37) ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 US claimed
US-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1362042-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057249-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 GAA 426/4885HPGD 1470/4885MAPK1 1422/4885

“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.