SCHEMBL2014987

SCHEMBL2014987

CCN1CC(C)(C)OC(=O)C1CC(=O)Nc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 1/20 0.44
MAPT P10636 7/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTOR P42345 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PIK3R1 P27986 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL2015517 0.87 SMN1; SMN2 (0.47) SMN1; SMN2MAPTPOLBKMT2AMTOR
SCHEMBL23976543 0.67 GAA (0.67) SMN1; SMN2GAAPOLBCYP1A2HSD17B10
SCHEMBL13270199 0.67 HTT (0.53) SMN1; SMN2GAAMAPTPOLBHTT
SCHEMBL626827 0.67 GAA (0.76) SMN1; SMN2GAAPOLBCYP1A2HSD17B10
SCHEMBL30071250 0.67 GAA (0.76) SMN1; SMN2GAAPOLBCYP1A2HSD17B10
Bromide SCHEMBL11500766 0.66 GAA (0.73) SMN1; SMN2GAAPOLBCYP1A2HSD17B10
SCHEMBL6245092 0.65 GAA (1.00) SMN1; SMN2GAAPOLBCYP1A2HSD17B10
SCHEMBL27508818 0.64 HPGD (0.63) SMN1; SMN2GAAMAPTPOLBHTT
SCHEMBL2562391 0.64 GAA (0.71) SMN1; SMN2GAAPOLBCYP1A2HSD17B10
SCHEMBL20220978 0.64 GAA (0.71) SMN1; SMN2GAAPOLBCYP1A2HSD17B10

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 4701/4885GAA 19/4885MAPT 809/4885

“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.