SCHEMBL4045686

SCHEMBL4045686

C=CCOC(=O)NNC(=O)OC(C)(C)C.CC1C=CCN1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SYK P43405 1/20 0.40
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
ELANE P08246 7/20 0.38
CTSL P07711 1/20 0.38
F2 P00734 3/20 0.38
CTSG P08311 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2C P28335 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
AGTR2 P50052 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL6210553 0.85 L3MBTL1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4040856 0.81 L3MBTL1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4040862 0.81 L3MBTL1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9178458 0.81 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4043498 0.80 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4037753 0.80 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25675134 0.75 KMT2A (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28714313 0.73 ABCB1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL421286 0.72 SYK (0.61) SYK
SCHEMBL6210792 0.71 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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 2 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

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 PSEN1 722/4885PSEN2 737/4885APH1B 1409/4885

“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.