SCHEMBL6809258

SCHEMBL6809258

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)c1cnc2ccccc2n1)C(=O)N1CCC(F)(F)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.46
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC4 P56524 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
P2RY12 Q9H244 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 4/20 0.39

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
SCHEMBL6810263 0.87 TGM2 (0.46) TGM2ITGB3ITGA2BHDAC1HDAC8
SCHEMBL6809984 0.86 ITGB3 (0.47) TGM2ITGB3ITGA2BHDAC1HDAC4
SCHEMBL5350152 0.85 TGM2 (0.47) TGM2ITGB3ITGA2BHDAC1HDAC4
Hydrochloric Acid SCHEMBL6809246 0.81 HDAC3 (0.47) HDAC1DRD2DRD3HDAC3HTR1A
SCHEMBL4911293 0.76 TLR2 (0.52) TGM2ITGB3ITGA2BHDAC1HDAC8
SCHEMBL8294235 0.75 HDAC3 (0.50) HDAC1DRD2DRD3HDAC3HTR1A
SCHEMBL6389169 0.74 ITGB3 (0.54) TGM2ITGB3ITGA2BHDAC1HDAC4
SCHEMBL4906241 0.74 ITGB3 (0.54) TGM2ITGB3ITGA2BHDAC1HDAC4
SCHEMBL4911413 0.73 ITGB3 (0.50) TGM2ITGB3ITGA2BHDAC1HDAC4
SCHEMBL4909415 0.73 ITGB3 (0.43) TGM2ITGB3ITGA2BHDAC1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235752-A1 3-fluoro-pyrrolidines as antidiabetic agents FERRING B.V. (NL) 2004-11-25 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-20040235752-A1 3-fluoro-pyrrolidines as antidiabetic agents DPP4, DPP7, DPP3 TGM2 1011/4885ITGB3 3366/4885ITGA2B 4014/4885

“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.