SCHEMBL8436698

SCHEMBL8436698

CCC(C)OC(=O)N1CCc2cc(C)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.55
▸ ABHD6 Q9BV23 1/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.46
▸ CDK4 P11802 2/20 0.44
▸ CCND1 P24385 2/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TP53 P04637 1/20 0.41

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
SCHEMBL8440098 0.86 ABHD6 (0.65) NOTUMKDM4EABHD6GPR119HTR2A
SCHEMBL8433234 0.80 ABHD6 (0.44) NOTUMKDM4EABHD6GPR119ALDH1A1
SCHEMBL13345024 0.79 KDM4E (0.83) NOTUMKDM4EDRD2DRD4CDK4
SCHEMBL17368391 0.76 NOTUM (0.69) NOTUMKDM4EDRD2DRD4CDK4
SCHEMBL15108132 0.76 NOTUM (0.69) NOTUMKDM4EDRD2DRD4CDK4
SCHEMBL8200750 0.76 NOTUM (0.64) NOTUMKDM4EABHD6DRD2DRD4
SCHEMBL423295 0.74 NOTUM (1.00) NOTUMKDM4EALDH1A1MEN1KMT2A
SCHEMBL16479228 0.74 NOTUM (0.66) NOTUMKDM4EDRD2DRD4CDK4
SCHEMBL18672358 0.73 NPC1 (0.72) NOTUMKDM4EDRD2DRD4CDK4
SCHEMBL16600509 0.73 NOTUM (0.73) NOTUMKDM4EDRD2DRD4CDK4

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-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 — — US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 — — 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 NOTUM 4282/4885KDM4E 4567/4885ABHD6 1930/4885

“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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