SCHEMBL2002104

SCHEMBL2002104

O=Cc1cccc(-c2ccc(CN3CC(=O)N(CC4CCC4)C3=O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.43
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
HDAC6 Q9UBN7 3/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
GRM2 Q14416 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.35
CYP2D6 P10635 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SIGMAR1 Q99720 4/20 0.34

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
SCHEMBL1998174 0.82 CYP2D6 (0.48) ENPP2CYP2D6
SCHEMBL1998338 0.79 MCHR1 (0.40) ENPP2HDAC6CYP2D6
SCHEMBL840558 0.77 HDAC6 (0.43) ENPP2HDAC6HDAC1HDAC2HDAC8
SCHEMBL1998115 0.75 LMNA (0.41) ENPP2HDAC6CYP2D6
SCHEMBL1996203 0.75 TRIM24 (0.43) ENPP2ROCK2ROCK1HDAC6TRIM24
SCHEMBL2001274 0.72 HRH3 (0.38) ENPP2GRM2
SCHEMBL840710 0.71 HDAC6 (0.45) ENPP2HDAC6HDAC1HDAC2HDAC8
SCHEMBL6874779 0.71 ENPP2 (0.38) ENPP2HDAC6HDAC1HDAC2HDAC8
SCHEMBL31528292 0.70 CYP2D6 (0.66) TRIM24TRIM33CA12CA1CA2
SCHEMBL840052 0.69 HRH3 (0.41) ENPP2HDAC6CYP2D6

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 2 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 disclosed
US-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE N. V. ORGANON 2010-06-10 US 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 ENPP2 1556/4885ROCK2 2782/4885ROCK1 3107/4885

“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.