SCHEMBL5541271

SCHEMBL5541271

CN(C(=O)NC(C)(C)C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
EPHX1 P07099 1/20 0.34
TRPA1 O75762 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL2757926 0.78 POLB (0.52) POLBEPHX1MEN1KMT2ALMNA
SCHEMBL13653080 0.76 POLB (0.50) POLBEPHX1MEN1KMT2A
SCHEMBL966408 0.76 CYP3A4 (0.37) POLBTRPA1
SCHEMBL11017806 0.74 TRPA1 (0.34) TRPA1LMNA
SCHEMBL10906569 0.74 POLB (0.48) POLBEPHX1MEN1KMT2ALMNA
SCHEMBL5705014 0.74 POLB (0.48) POLBEPHX1MEN1KMT2A
SCHEMBL10904081 0.72 POLB (0.46) POLBEPHX1MEN1KMT2A
SCHEMBL19964564 0.70 POLB (0.45) POLBEPHX1MEN1KMT2ALMNA
SCHEMBL968850 0.70 TRPA1 (0.33) TRPA1
SCHEMBL967474 0.70 ALDH1A1 (0.39) TRPA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284316-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2016-03-15 US disclosed
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-03-26 US disclosed
US-8859566-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2014-10-14 US disclosed
US-8557765-B2 Spatially-defined macrocycles incorporating peptide bond surrogates TRANZYME PHARMA INC. (CA) 2013-10-15 US disclosed
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS LIMITED (IN) 2012-05-10 US disclosed
US-20090312540-A1 SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2009-12-17 US disclosed
US-7550431-B2 Spatially-defined macrocycles incorporating peptide bond surrogates TRANZYME PHARMA INC. (CA) 2009-06-23 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 (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-20090312540-A1 SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES MLNR, GIPR, GRPR POLB 4780/4885EPHX1 4394/4885TRPA1 1115/4885
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 POLB 543/4885EPHX1 473/4885TRPA1 357/4885
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 POLB 541/4885EPHX1 484/4885TRPA1 355/4885

“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.