SCHEMBL5771832

SCHEMBL5771832

CC#CCn1c(Cl)nc2c1c(=O)n(COC(=O)C(C)(C)C)c(=O)n2COC(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 15/20 0.33
DPP9 Q86TI2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6381665 0.90 P2RX3 (0.35) DPP4
SCHEMBL2965812 0.87 POLB (0.42) POLBGAANPSR1DPP4DPP9
SCHEMBL13866880 0.83 POLB (0.31) TRPA1POLBGAANPSR1
SCHEMBL5771868 0.78 TRPA1 (0.41) TRPA1
SCHEMBL5719040 0.77 DPP4 (0.42) DPP4DPP9
SCHEMBL23146029 0.75 KMT2A (0.41) POLBGAANPSR1CYP1A2CYP2C19
SCHEMBL6422754 0.75 DPP4 (0.44) DPP4DPP9
SCHEMBL5790131 0.73 TRPA1 (0.38) TRPA1
SCHEMBL2957435 0.72 PDE4A (0.48) TRPA1
SCHEMBL3879335 0.72 NR1H2 (0.34) POLBNPSR1DPP4

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-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 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-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 TRPA1 3743/4885POLB 4529/4885GAA 183/4885

“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.