SCHEMBL2015307

SCHEMBL2015307

CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccc2c(ccn2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
POLB P06746 1/20 0.46
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
HTR2C P28335 3/20 0.40
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTR2B P41595 2/20 0.39
RECQL P46063 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRNA7 P36544 4/20 0.39

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
SCHEMBL3211854 0.85 MAPT (0.66) MAPTPOLBNOTUMKMT2AALDH1A1
SCHEMBL2011806 0.78 MAPT (0.53) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2016657 0.78 MAPT (0.53) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2013166 0.78 MAPT (0.55) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2013627 0.76 MAPT (0.46) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2012824 0.75 SMN1; SMN2 (0.45) MAPTPOLBNOTUMKMT2AALDH1A1
SCHEMBL2015126 0.75 MAPT (0.47) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2015057 0.74 MAPT (0.43) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2013171 0.73 MAPT (0.47) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL2013308 0.72 MAPT (0.41) MAPTPOLBKMT2AALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513069-B1 ANTIFUNGAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-10-15 EP claimed
EP-2513069-A1 ANTIFUNGAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-24 EP claimed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US claimed
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 WO claimed
EP-2513069-B1 ANTIFUNGAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-10-15 EP disclosed
EP-2513069-A1 ANTIFUNGAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-24 EP disclosed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US disclosed
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US disclosed
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 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-20120252801-A1 ANTIFUNGAL COMPOUNDS ERG28, DPM1, CYP51A1 MAPT 809/4885POLB 3581/4885NOTUM 1991/4885

“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.