SCHEMBL8256409

SCHEMBL8256409

CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCOCC3)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
USP30 Q70CQ3 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
GPR119 Q8TDV5 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.51
PDK2 Q15119 1/20 0.50
SLC6A5 Q9Y345 3/20 0.48
SLC6A9 P48067 2/20 0.48
HPGD P15428 1/20 0.48
PIK3CA P42336 2/20 0.48
NAMPT P43490 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL20521448 0.86 MAPT (0.51) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL21330961 0.84 MAPT (0.52) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL20159003 0.84 MAPT (0.59) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL15093862 0.84 MGLL (0.52) MAPTUSP30ALDH1A1LMNAGPR119
SCHEMBL8256307 0.82 MAOB (0.45) MAPTUSP30ALDH1A1LMNAGPR119
SCHEMBL24124829 0.82 MAPT (0.56) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL5256454 0.82 MAPT (0.56) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL22532774 0.81 SMN1; SMN2 (0.56) MAPTALDH1A1LMNAGPR119SMN1; SMN2
SCHEMBL4852636 0.81 ALDH1A1 (0.47) MAPTUSP30ALDH1A1LMNAGPR119
SCHEMBL5573222 0.81 MAPT (0.76) MAPTALDH1A1LMNAGPR119SMN1; SMN2

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 4 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-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
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 MAPT 2814/4885USP30 4166/4885ALDH1A1 591/4885

“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.