SCHEMBL2004454

SCHEMBL2004454

O=C1CN(Cc2ccc(-c3ccc(F)c(CN[C@H]4CCOC4)c3)cc2)C(=O)N1CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
MTOR P42345 2/20 0.36
MAPK1 P28482 4/20 0.36
HTR2A P28223 1/20 0.33
GRM2 Q14416 1/20 0.33
HDAC6 Q9UBN7 4/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK3 P27361 1/20 0.32
ENPP2 Q13822 2/20 0.31
S1PR3 Q99500 1/20 0.31
USP1 O94782 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL2004457 1.00 PARP1 (0.39) PARP1MTORMAPK1HTR2AGRM2
SCHEMBL2005526 1.00 PARP1 (0.39) PARP1MTORMAPK1HTR2AGRM2
SCHEMBL2004612 0.95 PARP1 (0.43) PARP1MTORMAPK1HTR2AGRM2
SCHEMBL1995190 0.89 PARP1 (0.39) PARP1MTORMAPK1HTR2AGRM2
SCHEMBL1999457 0.89 PARP1 (0.39) PARP1MTORMAPK1HTR2AGRM2
SCHEMBL1995187 0.89 PARP1 (0.39) PARP1MTORMAPK1HTR2AGRM2
Hydrochloric Acid SCHEMBL2502392 0.88 PARP1 (0.39) PARP1MTORMAPK1HTR2AGRM2
Hydrochloric Acid SCHEMBL2502390 0.88 PARP1 (0.39) PARP1MTORMAPK1HTR2AGRM2
SCHEMBL1998768 0.84 ENPP2 (0.47) PARP1MTORMAPK1HTR2AGRM2
SCHEMBL1998770 0.84 ENPP2 (0.47) PARP1MTORMAPK1HTR2AGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960560-B2 1-(biphenyl-4-ylmethyl)imidazolidine-2,4-dione N.V. ORGANON (NL) 2011-06-14 US claimed
US-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE N. V. ORGANON 2010-06-10 US claimed
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 PARP1 3676/4885MTOR 3671/4885MAPK1 2448/4885

“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.