SCHEMBL2015517

SCHEMBL2015517

CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 11/20 0.42
POLB P06746 1/20 0.41
MTOR P42345 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 4/20 0.38
OPRL1 P41146 4/20 0.38
THRB P10828 1/20 0.38
EPHX2 P34913 1/20 0.37
NLRP3 Q96P20 2/20 0.36

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
SCHEMBL2014987 0.87 SMN1; SMN2 (0.64) SMN1; SMN2MAPTPOLBMTORALDH1A1
SCHEMBL2016657 0.85 MAPT (0.53) SMN1; SMN2MAPTPOLBALDH1A1HSP90AA1
SCHEMBL2012824 0.80 SMN1; SMN2 (0.45) SMN1; SMN2MAPTPOLBMTORALDH1A1
SCHEMBL2015126 0.80 MAPT (0.47) SMN1; SMN2MAPTPOLBMTORALDH1A1
SCHEMBL2013308 0.75 MAPT (0.41) SMN1; SMN2MAPTPOLBALDH1A1HSP90AA1
SCHEMBL2011806 0.75 MAPT (0.53) SMN1; SMN2MAPTPOLBALDH1A1HSP90AA1
SCHEMBL2014050 0.73 MAPT (0.40) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL2013918 0.73 MAPT (0.40) SMN1; SMN2MAPTPOLBALDH1A1HSP90AA1
SCHEMBL2013627 0.73 MAPT (0.46) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL2013353 0.72 CACNA1G (0.45) MAPTPOLBALDH1A1KMT2A

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 SMN1; SMN2 4701/4885MAPT 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.