SCHEMBL8415583

SCHEMBL8415583

CC(C)(C)OC(=O)N1CCN(c2cc(CC#N)ccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR1H2 P55055 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
PDK2 Q15119 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
JAK1 P23458 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
JAK2 O60674 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
SCHEMBL8436491 0.91 GPR119 (0.49) GPR119SMN1; SMN2HTTNPSR1NR1H2
SCHEMBL8220970 0.86 SMN1; SMN2 (0.47) GPR119SMN1; SMN2HTTNPSR1MEN1
SCHEMBL8280131 0.82 GPR119 (0.59) GPR119LMNAMAPTALDH1A1
SCHEMBL21686038 0.82 GPR119 (0.59) GPR119SMN1; SMN2HTTNPSR1MEN1
SCHEMBL13344755 0.82 MAPT (0.46) GPR119SMN1; SMN2HTTNPSR1MEN1
SCHEMBL22957522 0.81 GPR119 (0.48) GPR119NR1H2SMARCA2SMARCA4PBRM1
SCHEMBL8221372 0.80 GPR119 (0.48) GPR119SMN1; SMN2HTTNPSR1NR1H2
SCHEMBL21937028 0.80 MAPT (0.51) GPR119SMN1; SMN2HTTSMARCA2SMARCA4
SCHEMBL20657938 0.79 MEN1 (0.55) GPR119SMN1; SMN2HTTNPSR1MEN1
SCHEMBL8259574 0.79 ESR2 (0.52) GPR119HTTMEN1KMT2ASMARCA2

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 5 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-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-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
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 (2 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 GPR119 148/4885SMN1; SMN2 813/4885HTT 381/4885
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 GPR119 223/4885SMN1; SMN2 837/4885HTT 168/4885

“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.