SCHEMBL2015667

SCHEMBL2015667

CCN1CC(C)(C)OC(=O)C1CC(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.54
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL2012133 0.75 BDKRB1 (0.48) L3MBTL1
SCHEMBL2012481 0.75 GAA (0.40) POLB
SCHEMBL7268908 0.74 SIGMAR1 (0.79) SIGMAR1POLBL3MBTL1
Hydrochloric Acid SCHEMBL29640479 0.73 SIGMAR1 (0.77) SIGMAR1POLBL3MBTL1
SCHEMBL9852459 0.72 SIGMAR1 (0.75) SIGMAR1POLBL3MBTL1
SCHEMBL5862113 0.72 SIGMAR1 (1.00) SIGMAR1
SCHEMBL6750438 0.71 SIGMAR1 (0.77) SIGMAR1POLBL3MBTL1
SCHEMBL5124505 0.71 SIGMAR1 (0.81) SIGMAR1POLBL3MBTL1
SCHEMBL3075354 0.71 SIGMAR1 (0.81) SIGMAR1POLBL3MBTL1
SCHEMBL29640480 0.71 SIGMAR1 (0.81) SIGMAR1POLBL3MBTL1

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 7 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
US-20120252801-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-10-04 US 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 SIGMAR1 3953/4885POLB 3581/4885L3MBTL1 4233/4885

“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.