SCHEMBL4096764

SCHEMBL4096764

CC(C)(C)OC(=O)N1CCC(Oc2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.54
PDE4D Q08499 3/20 0.53
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
GPR119 Q8TDV5 9/20 0.52
CYP2C9 P11712 2/20 0.49
EPHX2 P34913 2/20 0.49
CYP2J2 P51589 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CACNB4 O00305 1/20 0.47
CACNA1A O00555 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNG3 O60359 1/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNB3 P54284 1/20 0.47

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
SCHEMBL20064249 0.88 RORC (0.47) KDM1APDE4BGPR119CACNB4CACNA1A
SCHEMBL19839235 0.86 PDE4B (0.64) KDM1APDE4DPDE4APDE4BPDE4C
SCHEMBL71246 0.85 EPHX2 (0.56) KDM1AGPR119EPHX2KDM4E
SCHEMBL31726619 0.85 GPR119 (0.62) KDM1APDE4DPDE4APDE4BPDE4C
SCHEMBL21765007 0.84 KDM1A (0.57) KDM1APDE4DPDE4APDE4BPDE4C
SCHEMBL74564 0.84 KDM1A (0.57) KDM1APDE4DPDE4APDE4BPDE4C
SCHEMBL23209949 0.83 GPR119 (0.51) GPR119KDM4EPKMMEN1KMT2A
SCHEMBL29691266 0.83 GPR119 (0.51) GPR119KDM4EPKMMEN1KMT2A
SCHEMBL3103045 0.82 RBP4 (0.63) KDM1APDE4DPDE4APDE4BPDE4C
SCHEMBL69206 0.82 KDM1A (0.56) KDM1APDE4DPDE4APDE4BPDE4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
EP-1996545-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME Boehringer Ingelheim International GmbH (DE) 2008-12-03 EP disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 KDM1A 1614/4885PDE4D 2124/4885PDE4A 1392/4885

“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.