SCHEMBL2012284

SCHEMBL2012284

CCN1CC(C)(C)OC(=O)C1CC(=O)NCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 4/20 0.43
TAAR1 Q96RJ0 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.42
IDO1 P14902 1/20 0.41
USP30 Q70CQ3 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2013353 0.89 CACNA1G (0.45) ALDH1A1HPGDKDM4EL3MBTL1NPC1
SCHEMBL2013918 0.84 MAPT (0.40) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL2011927 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL2013632 0.81 MEN1 (0.48) ALDH1A1HPGDKDM4ECYP3A4CYP2C19
SCHEMBL2010964 0.80 MAPT (0.38) ALDH1A1TAAR1KDM4EMAPTPOLB
SCHEMBL2017676 0.80 P2RX7 (0.48) CYP3A4CYP2C19NPC1RAB9AMAPT
SCHEMBL2013412 0.79 NPC1 (0.46) ALDH1A1HPGDNPC1RAB9AMAPT
SCHEMBL2013716 0.78 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EL3MBTL1NPC1
SCHEMBL2011699 0.78 LMNA (0.46) ALDH1A1HPGDKDM4EL3MBTL1NPC1
SCHEMBL2013832 0.77 P2RX7 (0.51) HPGDKDM4ECYP3A4CYP2C19L3MBTL1

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 EPHX2 4303/4885ALDH1A1 2899/4885TAAR1 4476/4885

“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.