SCHEMBL4252996

SCHEMBL4252996

CCCCn1c(N)cc(=O)n(CCCCC(=O)OC)c1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 4/20 0.45
▸ TLR7 Q9NYK1 3/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TNF P01375 2/20 0.40
▸ FAAH O00519 1/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4251804 0.85 TNF (0.56) TNF
SCHEMBL2336285 0.83 ALDH1A1 (0.45) CNR2ALDH1A1
SCHEMBL5186888 0.81 CNR2 (0.39) CNR2ALDH1A1TNFKDM4E
SCHEMBL7181790 0.80 ADORA2B (0.47) KAT2BCNR2ALDH1A1FAAH
SCHEMBL7178960 0.80 ADORA2B (0.47) KAT2BCNR2ALDH1A1FAAH
SCHEMBL7178946 0.80 ADORA2B (0.47) KAT2BCNR2ALDH1A1FAAH
SCHEMBL5269258 0.80 ADORA2B (0.47) KAT2BCNR2ALDH1A1FAAH
SCHEMBL1948066 0.77 ADORA2B (0.46) CNR2ALDH1A1KDM4E
SCHEMBL9412552 0.75 TNF (0.53) ALDH1A1TNF
SCHEMBL11514590 0.75 ALDH1A1 (0.56) KAT2BCNR2ALDH1A1TNFDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 — — US disclosed
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 — — US disclosed
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 — — 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-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity XDH, HCAR1, GPR84 KAT2B 4541/4885TLR7 149/4885CNR2 351/4885

“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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