SCHEMBL8226263

SCHEMBL8226263

CC(C)(C)OC(=O)N1CCN(c2cc(-c3noc(C(=O)NC4CC4)n3)ccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.56
HDAC6 Q9UBN7 4/20 0.51
GPR119 Q8TDV5 3/20 0.47
USP30 Q70CQ3 1/20 0.45
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL8221034 0.83 HDAC4 (0.46) HDAC4HDAC6
SCHEMBL8221449 0.82 HTT (0.52) HDAC4HDAC6GPR119LMNAMAPT
SCHEMBL8226671 0.80 GPR119 (0.52) HDAC4HDAC6GPR119LMNATP53
SCHEMBL8226458 0.79 HDAC4 (0.56) HDAC4HDAC6GPR119LMNATP53
SCHEMBL8421890 0.76 MAPK14 (0.53) HDAC4HDAC6
SCHEMBL17115033 0.76 HDAC4 (0.54) HDAC4HDAC6GPR119LMNATP53
SCHEMBL355493 0.76 HTT (0.52) HDAC4HDAC6GPR119LMNAMAPT
SCHEMBL8221031 0.75 GPR119 (0.56) HDAC4HDAC6GPR119LMNAMAPT
SCHEMBL8281127 0.74 HDAC4 (0.49) HDAC4HDAC6TP53
SCHEMBL8226810 0.74 SCD5 (0.52) HDAC4GPR119USP30MAPTTHRB

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-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 HDAC4 3302/4885HDAC6 1326/4885GPR119 148/4885

“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.