SCHEMBL19601360

SCHEMBL19601360

Cn1c(=O)n(CC2CCC(C)(O)CC2)c(=O)c2ncn(C(F)F)c21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.36
▸ PARG Q86W56 8/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PDE5A O76074 2/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ HTT P42858 1/20 0.30
▸ CPB2 Q96IY4 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
SCHEMBL17682131 0.89 TRPA1 (0.34) TRPA1PARGLMNAALDH1A1POLB
SCHEMBL17682319 0.85 TRPA1 (0.36) TRPA1PARGLMNAALDH1A1POLB
SCHEMBL17682323 0.85 TRPA1 (0.37) TRPA1PARGLMNAPDE5APDE4A
SCHEMBL19601311 0.83 TRPA1 (0.51) TRPA1PDE5APDE4APDE4BPDE4C
SCHEMBL17682326 0.83 TRPA1 (0.35) TRPA1LMNAALDH1A1POLB
SCHEMBL19601306 0.77 TRPA1 (0.53) TRPA1PDE5APDE4APDE4BPDE4C
SCHEMBL19601329 0.73 ADORA2B (0.54) LMNAPOLBPDE4APDE4BPDE4C
SCHEMBL19601336 0.73 ADORA2B (0.54) LMNAPOLBPDE4APDE4BPDE4C
SCHEMBL17682138 0.73 ADORA2B (0.54) LMNAPOLBPDE4APDE4BPDE4C
SCHEMBL17682130 0.72 TRPA1 (0.48) TRPA1

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 3239/4885PARG 2420/4885LMNA 2616/4885

“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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