SCHEMBL17682130

SCHEMBL17682130

Cn1c(=O)n(CC2CCC(O)(C(F)(F)F)CC2)c(=O)c2c1ncn2C(F)F

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 11/20 0.48
▸ KMT2A Q03164 1/20 0.38
▸ ADORA2B P29275 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
SCHEMBL17682140 0.93 TRPA1 (0.50) TRPA1
SCHEMBL19607831 0.89 TRPA1 (0.47) TRPA1
SCHEMBL19601311 0.89 TRPA1 (0.51) TRPA1KMT2AADORA2B
SCHEMBL17682155 0.89 ADORA2B (0.50) ADORA2B
SCHEMBL17682128 0.89 ADORA2B (0.50) ADORA2B
SCHEMBL17682160 0.89 ADORA2B (0.50) ADORA2B
SCHEMBL17682279 0.87 KMT2A (0.48) TRPA1KMT2AADORA2B
SCHEMBL17682280 0.87 KMT2A (0.48) TRPA1KMT2AADORA2B
SCHEMBL17682249 0.87 KMT2A (0.48) TRPA1KMT2AADORA2B
SCHEMBL17682282 0.85 LMNA (0.45) TRPA1KMT2AADORA2B

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 3239/4885KMT2A 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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