SCHEMBL2016133

SCHEMBL2016133

CCN1CC(C)(C)OC(=O)C1CC(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.48
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BACE1 P56817 1/20 0.38
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 1/20 0.38
NR3C2 P08235 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL2013832 0.89 P2RX7 (0.51) P2RX7MAPTLMNANPC1RAB9A
SCHEMBL2017246 0.88 MAPT (0.43) MAPTPOLBRAB9ATP53
SCHEMBL2013412 0.87 NPC1 (0.46) MAPTALDH1A1POLBLMNANPC1
SCHEMBL2013353 0.86 CACNA1G (0.45) MAPTALDH1A1POLBLMNANPC1
SCHEMBL2011927 0.85 ALDH1A1 (0.50) MAPTALDH1A1POLBLMNAHDAC1
SCHEMBL2013720 0.82 MAPT (0.56) P2RX7MAPTALDH1A1
SCHEMBL2014705 0.81 MAPT (0.43) MAPTALDH1A1POLBLMNAMTOR
SCHEMBL2013632 0.80 MEN1 (0.48) MAPTALDH1A1POLBTP53
SCHEMBL2017676 0.79 P2RX7 (0.48) P2RX7MAPTPOLBNPC1RAB9A
SCHEMBL2013221 0.78 MAPT (0.52) MAPTALDH1A1POLBEPHX2

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 P2RX7 2280/4885MAPT 809/4885ALDH1A1 2899/4885

“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.