SCHEMBL8256307

SCHEMBL8256307

CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCOC3=O)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
MAOA P21397 3/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 0.43
USP30 Q70CQ3 2/20 0.42
PDK2 Q15119 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CMA1 P23946 2/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 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
SCHEMBL8256409 0.82 MAPT (0.54) MAPTLMNAALDH1A1USP30PDK2
SCHEMBL8259553 0.82 MAPT (0.46) MAOBMAOAMAPTLMNAALDH1A1
SCHEMBL8250733 0.82 MEN1 (0.47) MAOBMAOAMAPTLMNAALDH1A1
SCHEMBL6613535 0.81 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL2948879 0.81 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6111262 0.81 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL12831510 0.81 MAPT (0.48) MAOBMAOAMAPTLMNAALDH1A1
SCHEMBL80077 0.80 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3396418 0.80 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL30703627 0.80 DDB1 (0.48) MAOBMAOAMAPTLMNAALDH1A1

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 6 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-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-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 MAOB 313/4885MAOA 317/4885MAPT 2814/4885

“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.