SCHEMBL4869289

SCHEMBL4869289

Cc1nnc2c(n1)CCN(C(=O)O)C2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.34
HSP90AA1 P07900 3/20 0.34
HSP90AB1 P08238 1/20 0.34
HSP90B1 P14625 1/20 0.33
GRM5 P41594 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS1 P23219 1/20 0.32
MTHFD2 P13995 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL26124498 0.80
SCHEMBL31691787 0.80
SCHEMBL4791253 0.79 MAPT (0.46) GRM5MAPK1
SCHEMBL4867797 0.76 LMNA (0.32) P2RX7GRM5
SCHEMBL4865954 0.76 DPP4 (0.35) P2RX7GRM5MAPK1
SCHEMBL19547099 0.74 P2RX7 (0.42) P2RX7HSP90AA1HSP90AB1HSP90B1MTHFD2
SCHEMBL4867800 0.72 HDAC1 (0.42) P2RX7HSP90AB1GRM5NPC1RAB9A
SCHEMBL4266981 0.70 P2RX7 (0.45) P2RX7
SCHEMBL2550300 0.69 HRH4 (0.35) P2RX7
SCHEMBL1014080 0.68 GRM5 (0.38) P2RX7HSP90AA1HSP90AB1GRM5

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 P2RX7 1401/4885HSP90AA1 3454/4885HSP90AB1 3373/4885

“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.