SCHEMBL5771868

SCHEMBL5771868

CC#CCn1cnc2c1c(=O)n(COC(=O)C(C)(C)C)c(=O)n2COC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
PDE4A P27815 8/20 0.40
PDE4B Q07343 8/20 0.40
PDE4C Q08493 8/20 0.40
PDE4D Q08499 8/20 0.40
ADORA2A P29274 4/20 0.40
ADORA2B P29275 4/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL5790131 0.94 TRPA1 (0.38) TRPA1PDE4APDE4BPDE4CPDE4D
SCHEMBL2957435 0.92 PDE4A (0.48) TRPA1PDE4APDE4BPDE4CPDE4D
SCHEMBL6383651 0.91 KMT2A (0.37) TRPA1PDE4APDE4BPDE4CPDE4D
SCHEMBL6383655 0.86 PDE4A (0.35) TRPA1PDE4APDE4BPDE4CPDE4D
SCHEMBL2957710 0.82 ALDH1A1 (0.57) ADORA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL5771832 0.78 TRPA1 (0.34) TRPA1
SCHEMBL13217673 0.76 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL2961214 0.76 POLB (0.64) ADORA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL6380785 0.76 KMT2A (0.52) ADORA2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL6380593 0.74 PDE4A (0.48) TRPA1PDE4APDE4BPDE4CPDE4D

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 3743/4885PDE4A 39/4885PDE4B 38/4885

“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.