SCHEMBL4043279

SCHEMBL4043279

C=CCOC(=O)N1CC(OC)(OC)C2NCC=C21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.36
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
CYP19A1 P11511 1/20 0.33
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ERN1 O75460 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPKAPK2 P49137 1/20 0.31
GAA P10253 3/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 3/20 0.31
CHRM1 P11229 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
SCHEMBL4037917 0.73 TSHR (0.38) FAAHCA1CA2TP53TSHR
SCHEMBL4041592 0.72 FAAH (0.35) FAAHTP53TSHRCYP19A1MGLL
SCHEMBL4043275 0.68 CYP19A1 (0.34) CYP19A1
SCHEMBL6235468 0.67 CYP19A1 (0.33) FAAHTP53TSHRCYP19A1MGLL
SCHEMBL7563095 0.62 MAPK1 (0.39) FAAHCA1CA2TP53TSHR
SCHEMBL4185530 0.60 FAAH (0.39) FAAHTSHRMGLLALDH1A1HSD17B10
SCHEMBL4194016 0.59 GAA (0.40) FAAHMGLLALDH1A1HSD17B10GAA
SCHEMBL30900666 0.58 CYP19A1 (0.32) FAAHCYP19A1MGLL
SCHEMBL23812541 0.58 NPSR1 (0.40) FAAHTSHRCYP19A1MGLLALDH1A1
SCHEMBL4195775 0.58 FAAH (0.38) FAAHTSHRMGLLERN1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS FAAH 2820/4885CA1 60/4885CA2 171/4885

“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.