SCHEMBL2005490

SCHEMBL2005490

COC(=O)CNCc1ccc(-c2ccccc2)c(CN2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
TRPV1 Q8NER1 4/20 0.45
ALDH1A1 P00352 3/20 0.43
CD274 Q9NZQ7 2/20 0.43
PDCD1 Q15116 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
HDAC1 Q13547 1/20 0.41
MOK Q9UQ07 1/20 0.41
MAPT P10636 2/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41

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
SCHEMBL28792775 0.75 CYP2C9 (0.67) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL3927266 0.74 MCL1 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19TRPV1
SCHEMBL28792758 0.74 DRD2 (0.54) CYP3A4CYP2D6CYP2C9CYP2C19TRPV1
SCHEMBL12991795 0.74 TRPV1 (0.56) CYP3A4CYP2D6CYP2C9CYP2C19TRPV1
SCHEMBL13038406 0.73 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19TRPV1
SCHEMBL13681862 0.72 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL30865830 0.72 MOK (0.63) CYP3A4CYP2D6CYP2C9CYP2C19TRPV1
SCHEMBL12991473 0.72 ALDH1A1 (0.58) CYP3A4CYP2D6CYP2C9CYP2C19TRPV1
SCHEMBL2516897 0.71 ALDH1A1 (0.60) CYP3A4ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL29084970 0.71 HCRTR1 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373627-A1 1- (BIPHENYL-4-YLMETHYL) IMIDAZOLIDINE-2, 4-DIONE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS N.V. Organon (NL) 2011-10-12 EP disclosed
US-7960560-B2 1-(biphenyl-4-ylmethyl)imidazolidine-2,4-dione N.V. ORGANON (NL) 2011-06-14 US disclosed
US-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE N. V. ORGANON 2010-06-10 US disclosed
WO-2010063721-A1 1- (BIPHENYL-4-YLMETHYL) IMIDAZOLIDINE-2, 4-DIONE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS N.V. ORGANON (NL) 2010-06-10 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-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE OPRM1, OR10J3, OPRD1 CYP3A4 571/4885CYP2D6 452/4885CYP2C9 441/4885

“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.