SCHEMBL18256595

SCHEMBL18256595

CCC1CC(CCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 8/20 0.48
▸ TNF P01375 4/20 0.47
▸ BLM P54132 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ PDE4A P27815 2/20 0.47
▸ PMP22 Q01453 2/20 0.47
▸ PDE4B Q07343 2/20 0.47
▸ PDE4C Q08493 2/20 0.47
▸ PDE4D Q08499 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ TRPA1 O75762 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ADORA2A P29274 1/20 0.46

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
SCHEMBL20185596 0.87 ADORA2B (0.50) ADORA2BTNFBLMGLACYP1A2
SCHEMBL18256594 0.84 ADORA2B (0.54) ADORA2BTNFBLMGLACYP1A2
SCHEMBL17682235 0.79 ADORA2B (0.56) ADORA2BTNFBLMGLACYP1A2
SCHEMBL8061443 0.79 ADORA2B (0.59) ADORA2BTNFBLMGLACYP1A2
SCHEMBL18256591 0.79 ADORA2B (0.53) ADORA2BTNFBLMGLACYP1A2
SCHEMBL18819641 0.78 ADORA2B (0.57) ADORA2BTNFBLMGLACYP1A2
SCHEMBL19246116 0.78 ADORA2B (0.57) ADORA2BTNFBLMGLACYP1A2
SCHEMBL18256647 0.78 ADORA2B (0.52) ADORA2BTNFBLMGLACYP1A2
SCHEMBL17682237 0.77 ADORA2B (0.51) ADORA2BTNFBLMGLACYP1A2
SCHEMBL20205958 0.77 ADORA2B (0.55) ADORA2BTNFBLMGLACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 — — US disclosed
WO-2016184313-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 — — 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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A ADORA2B 93/4885TNF 109/4885BLM 1100/4885

“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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