SCHEMBL4867797

SCHEMBL4867797

O=C(O)N1CCc2nc(C3CC3)nnc2C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
MMP9 P14780 1/20 0.32
DPP4 P27487 1/20 0.31
GRM5 P41594 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL4869289 0.76 P2RX7 (0.34) GRM5P2RX7
SCHEMBL21003182 0.75 P2RX7 (0.40) LMNAMAPTGPBAR1DPP4P2RX7
SCHEMBL26124498 0.73
SCHEMBL31691787 0.73
SCHEMBL4865954 0.73 DPP4 (0.35) DPP4GRM5P2RX7
SCHEMBL21003199 0.72 PDE10A (0.39) LMNAMAPTGPBAR1DPP4P2RX7
SCHEMBL5797768 0.72 GPBAR1 (0.35) LMNAMAPTGPBAR1DPP4P2RX7
SCHEMBL5645725 0.72 DPP4 (0.50) LMNAMMP9DPP4GRM5
SCHEMBL4867800 0.69 HDAC1 (0.42) MAPTDPP4GRM5P2RX7
SCHEMBL5643720 0.69 DPP4 (0.49) LMNADPP4GRM5

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 LMNA 3093/4885MAPT 3014/4885GPBAR1 477/4885

“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.