SCHEMBL1998519

SCHEMBL1998519

O=C1CN(Cc2ccc(-c3ccccc3CN3CCOCC3)cc2)C(=O)N1CC(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 4/20 0.42
HRH3 Q9Y5N1 2/20 0.40
METAP2 P50579 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
BRD4 O60885 1/20 0.39
PDE10A Q9Y233 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ENPP2 Q13822 1/20 0.38
DHODH Q02127 1/20 0.38
HTR7 P34969 1/20 0.37
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL1998644 0.90 METAP2 (0.43) CYP2A13HRH3METAP2BRD4PDE10A
SCHEMBL2000635 0.87 METAP2 (0.42) CYP2A13HRH3METAP2ADORA2AADORA1
SCHEMBL1997561 0.85 METAP2 (0.43) CYP2A13HRH3METAP2BRD4PDE10A
SCHEMBL1995051 0.85 ADORA2A (0.39) CYP2A13HRH3METAP2ADORA2AADORA1
SCHEMBL2001280 0.84 CYP2A13 (0.42) CYP2A13HRH3METAP2ADORA2AADORA1
SCHEMBL1998347 0.84 METAP2 (0.41) CYP2A13HRH3METAP2ADORA2AADORA1
SCHEMBL1996183 0.84 HRH3 (0.40) CYP2A13HRH3METAP2PDE10AENPP2
SCHEMBL1998382 0.83 METAP2 (0.42) CYP2A13HRH3METAP2BRD4PDE10A
SCHEMBL2001274 0.83 HRH3 (0.38) CYP2A13HRH3METAP2ADORA2AADORA1
SCHEMBL1998733 0.83 METAP2 (0.40) CYP2A13HRH3METAP2BRD4PDE10A

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 CYP2A13 3404/4885HRH3 32/4885METAP2 3694/4885

“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.