SCHEMBL1325546

SCHEMBL1325546

CC(C)(C)OC(=O)c1ncco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.46
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CES1 P23141 5/20 0.37
CHRNA4 P43681 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
ATR Q13535 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL742254 0.79
SCHEMBL24095922 0.75 FAAH (0.47) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL6968665 0.75
SCHEMBL19200715 0.75
SCHEMBL8906061 0.75 FAAH (0.41) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL2422303 0.74 FAAH (0.43) FAAHCES1ALDH1A1
SCHEMBL28322113 0.74 FAAH (0.45) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL17891334 0.74 TRPA1 (0.41) FAAHMAPTHSD17B10ATRALDH1A1
SCHEMBL16492825 0.74 TRPA1 (0.41) FAAHMAPTHSD17B10ATRALDH1A1
SCHEMBL30753499 0.73 FAAH (0.42) FAAHCES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492345-B2 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY (US) 2013-07-23 US disclosed
US-20120122799-A1 CYCLIC PEPTIDE ANTITUMOR AGENTS NORTHWESTERN UNIVERSITY (US) 2012-05-17 US disclosed
US-8058244-B2 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY (US) 2011-11-15 US disclosed
US-20100204088-A1 Cyclic Peptide Antitumor Agents SILVERMAN RICHARD B 2010-08-12 US disclosed
US-7709443-B2 For treatment of human melanoma, pancreatic, breast, prostate cancer cells NORTHWESTERN UNIVERSITY (US) 2010-05-04 US disclosed
CN-100379718-C N alpha-Boc-N beta-Cbz-L-2,3 diaminopropionic acid derivative synthesis method UNIV WUHAN (CN) 2008-04-09 CN disclosed
US-20050159346-A1 Cyclic peptide antitumor agents NORTHWESTERN UNIVERSITY 2005-07-21 US disclosed
WO-2005034982-A1 CYCLIC PEPTIDE ANTITUMOR AGENTS NORTHWESTERN UNIVERSITY (US) 2005-04-21 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 (3 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-20100204088-A1 Cyclic Peptide Antitumor Agents VIP, IAPP, NGLY1 FAAH 4335/4885TP53 14/4885MAPT 4362/4885
US-20120122799-A1 CYCLIC PEPTIDE ANTITUMOR AGENTS VIP, IAPP, NGLY1 FAAH 4335/4885TP53 14/4885MAPT 4362/4885
US-20050159346-A1 Cyclic peptide antitumor agents VIP, IAPP, NGLY1 FAAH 4335/4885TP53 14/4885MAPT 4362/4885

“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.