SCHEMBL4869778

SCHEMBL4869778

CC(C)(C)OC(=O)N1CCc2nc(-c3ccc(F)cc3)nnc2C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.46
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
MAPT P10636 2/20 0.42
HDAC4 P56524 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.41
GRAMD1A Q96CP6 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
HPGDS O60760 1/20 0.41
SLC34A1 Q06495 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIA1 P42261 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
SCHEMBL4871352 0.96 MTOR (0.46) MTORGRM5GRM1MAPTHDAC4
SCHEMBL4792145 0.89 PDE10A (0.47) MTORGRM5GRM1MAPTPDE10A
SCHEMBL4792727 0.84 PDE10A (0.47) MTORGRM5GRM1MAPTPDE10A
SCHEMBL4867800 0.83 HDAC1 (0.42) MTORGRM5MAPT
SCHEMBL27013362 0.82 MTOR (0.51) MTORGRM5GRM1HDAC4PDE10A
SCHEMBL1262953 0.81 MTOR (0.50) MTORGRM5GRM1HDAC4PDE10A
SCHEMBL4793085 0.78 NAMPT (0.40) MTORGRM5MAPT
SCHEMBL4791253 0.77 MAPT (0.46) MTORGRM5MAPTESR2NR1H2
SCHEMBL20792856 0.77 DPP4 (0.53) GRM5GRM1MAPTGRAMD1A
SCHEMBL4793227 0.76 MAPT (0.44) MTORGRM5GRM1MAPTHDAC4

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-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 MTOR 3662/4885GRM5 2708/4885GRM1 4370/4885

“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.