SCHEMBL2017682

SCHEMBL2017682

CCN1CC(C)(C)OC(=O)C1CC(=O)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.48
MAPT P10636 7/20 0.45
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
TRPV1 Q8NER1 1/20 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
SCHEMBL2013412 0.89 NPC1 (0.46) MAPTPOLBSMN1; SMN2HPGD
SCHEMBL2017676 0.87 P2RX7 (0.48) P2RX7MAPTPOLB
SCHEMBL2014391 0.85 P2RX7 (0.45) P2RX7MAPTPOLB
SCHEMBL2013353 0.84 CACNA1G (0.45) MAPTPOLBTSHRHPGD
SCHEMBL2013632 0.84 MEN1 (0.48) MAPTPOLBHPGD
SCHEMBL2011251 0.83 NPC1 (0.47) P2RX7MAPTHPGD
SCHEMBL2011927 0.83 ALDH1A1 (0.50) MAPTPOLBTSHRTRPV1
SCHEMBL2016133 0.82 P2RX7 (0.48) P2RX7MAPTPOLBHRH3
SCHEMBL2013832 0.81 P2RX7 (0.51) P2RX7MAPTTSHRHPGDHRH3
SCHEMBL2013716 0.78 ALDH1A1 (0.48) MAPTPOLBSMN1; SMN2HPGD

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 809/4885POLB 3581/4885

“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.