SCHEMBL19601306

SCHEMBL19601306

CC(C)n1cnc2c1c(=O)n(CC1CCC(C)(O)CC1)c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 0.53
▸ KMT2A Q03164 1/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 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
SCHEMBL19601311 0.92 TRPA1 (0.51) TRPA1KMT2AADORA2BPDE5APDE4A
SCHEMBL17682140 0.88 TRPA1 (0.50) TRPA1
SCHEMBL19601336 0.87 ADORA2B (0.54) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL19601329 0.87 ADORA2B (0.54) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL17682138 0.87 ADORA2B (0.54) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL17682301 0.85 TRPA1 (0.55) TRPA1KMT2AADORA2BPDE5APDE4A
SCHEMBL19601314 0.85 LMNA (0.48) TRPA1KMT2AADORA2BPDE5APDE4A
SCHEMBL19601332 0.85 LMNA (0.48) TRPA1KMT2AADORA2BPDE5APDE4A
SCHEMBL17682303 0.85 TRPA1 (0.54) TRPA1KMT2AADORA2BPDE5APDE4A
SCHEMBL19601337 0.85 LMNA (0.48) TRPA1KMT2AADORA2BPDE5APDE4A

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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 — — 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A TRPA1 3239/4885KMT2A 3904/4885ADORA2B 116/4885

“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.

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