SCHEMBL8257643

SCHEMBL8257643

CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
LMNA P02545 2/20 0.64
ALDH1A1 P00352 2/20 0.64
GPR119 Q8TDV5 7/20 0.56
NAMPT P43490 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 2/20 0.52
PDK2 Q15119 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48

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
SCHEMBL5573222 0.89 MAPT (0.76) MAPTLMNAALDH1A1GPR119NAMPT
SCHEMBL10223333 0.89 MAPT (0.64) MAPTLMNAALDH1A1GPR119NAMPT
SCHEMBL11989516 0.86 MAPT (0.61) MAPTLMNAALDH1A1GPR119NAMPT
SCHEMBL21378512 0.86 MAPT (0.61) MAPTLMNAALDH1A1GPR119NAMPT
SCHEMBL21378514 0.86 MAPT (0.61) MAPTLMNAALDH1A1GPR119NAMPT
SCHEMBL31465810 0.86 MAPT (0.49) MAPTLMNAALDH1A1GPR119NAMPT
SCHEMBL20142379 0.85 ALDH1A1 (0.67) MAPTLMNAALDH1A1GPR119NAMPT
SCHEMBL21435778 0.85 MAPT (0.60) MAPTLMNAALDH1A1GPR119NAMPT
SCHEMBL7078017 0.85 MAPT (0.60) MAPTLMNAALDH1A1GPR119NAMPT
SCHEMBL11990243 0.84 MAPT (0.58) MAPTLMNAALDH1A1GPR119NAMPT

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 2814/4885LMNA 4065/4885ALDH1A1 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.