SCHEMBL4788910

SCHEMBL4788910

C=CCC1CCC(=O)C1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CYP19A1 P11511 2/20 0.32
FAAH O00519 1/20 0.31
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
SCHEMBL4788911 0.74 NOS1 (0.37) ALDH1A1MEN1KMT2AAKR1C4AKR1C3
SCHEMBL11439584 0.71 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AAKR1C4AKR1C3
SCHEMBL9243246 0.68
SCHEMBL11781506 0.65 HTT (0.45) ALDH1A1MEN1KMT2AAKR1C4AKR1C3
SCHEMBL3259636 0.65
SCHEMBL19302160 0.65
SCHEMBL24524599 0.63 MEN1 (0.40) ALDH1A1MEN1KMT2ACYP19A1
SCHEMBL27771231 0.63 GRM8 (0.33)
SCHEMBL20969924 0.63 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP19A1NOS3
SCHEMBL20969209 0.63 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP19A1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US claimed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US claimed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP claimed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO claimed
WO-2008134429-A1 CYSTEINE PROTEINASE INHIBITORS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2008-11-06 WO disclosed
WO-2008134432-A1 PROTEINASE INHIBITORS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2008-11-06 WO disclosed
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057248-A2 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-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 ALDH1A1 2913/4885MEN1 2979/4885KMT2A 4012/4885

“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.