SCHEMBL3777677

SCHEMBL3777677

CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccnc(N)n3)C[C@@H]2C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.54
GPR119 Q8TDV5 5/20 0.51
HRH3 Q9Y5N1 3/20 0.48
MAP4K4 O95819 2/20 0.45
AOC3 Q16853 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
NR1H2 P55055 1/20 0.41
JAK1 P23458 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL3777675 1.00 PDE10A (0.54) PDE10AGPR119HRH3MAP4K4AOC3
SCHEMBL22644511 0.85 PDE10A (0.56) PDE10AGPR119MAP4K4AOC3HCRTR1
SCHEMBL3782979 0.84 MAP4K4 (0.61) GPR119HRH3MAP4K4HRH4
SCHEMBL14138637 0.84 GPR119 (0.72) GPR119HRH3MAP4K4
SCHEMBL30874477 0.83 GPR119 (0.74) PDE10AGPR119AOC3HCRTR1HCRTR2
SCHEMBL30815333 0.83 GPR119 (0.74) PDE10AGPR119AOC3HCRTR1HCRTR2
SCHEMBL22495526 0.79 GPR119 (0.70) PDE10AGPR119
SCHEMBL22495527 0.79 GPR119 (0.70) PDE10AGPR119
SCHEMBL29461508 0.79 GPR119 (0.70) PDE10AGPR119
SCHEMBL3782863 0.78 HRH3 (0.53) GPR119HRH3MAP4K4HRH4HDAC1

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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 US claimed
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 PDE10A 1626/4885GPR119 51/4885HRH3 3/4885

“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.