SCHEMBL17682131

SCHEMBL17682131

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RORC P51449 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PARG Q86W56 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
SCHEMBL17682326 0.94 TRPA1 (0.35) TRPA1LMNAALDH1A1POLBRORC
SCHEMBL19601360 0.89 TRPA1 (0.36) TRPA1LMNAALDH1A1POLBPDE5A
SCHEMBL17682323 0.85 TRPA1 (0.37) TRPA1LMNAPDE5APDE4APDE4B
SCHEMBL17682130 0.84 TRPA1 (0.48) TRPA1
SCHEMBL17682319 0.83 TRPA1 (0.36) TRPA1LMNAALDH1A1POLBPDE5A
SCHEMBL17682140 0.79 TRPA1 (0.50) TRPA1
SCHEMBL17682160 0.76 ADORA2B (0.50) LMNAPOLBPDE4APDE4BPDE4C
SCHEMBL17682155 0.76 ADORA2B (0.50) LMNAPOLBPDE4APDE4BPDE4C
SCHEMBL17682128 0.76 ADORA2B (0.50) LMNAPOLBPDE4APDE4BPDE4C
SCHEMBL19607831 0.76 TRPA1 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 — — US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 — — US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 — — EP disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 — — WO disclosed
WO-2016054971-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF 南京明德新药研发股份有限公司 2016-04-14 — — WO 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 3239/4885LMNA 2616/4885ALDH1A1 265/4885

“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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