SCHEMBL8439241

SCHEMBL8439241

COCCOc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.50
GPR119 Q8TDV5 8/20 0.44
HTT P42858 2/20 0.43
SCN9A Q15858 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL21659250 0.85 SCN9A (0.51) RETGPR119HTTSCN9AALDH1A1
SCHEMBL710593 0.83 GPR119 (0.53) RETGPR119HTTNR1H2NR1H3
SCHEMBL8440072 0.81 GPR119 (0.44) RETGPR119HTTNR1H2NR1H3
SCHEMBL8431903 0.79 ALDH1A1 (0.56) RETALDH1A1
SCHEMBL21659671 0.78 GPR119 (0.53) RETGPR119HTTALDH1A1MAPT
SCHEMBL22505342 0.77 GPR119 (0.46) GPR119HTTNR1H2NR1H3ALDH1A1
SCHEMBL21659579 0.77 ALK (0.49) GPR119HTTSCN9AALDH1A1MAPT
SCHEMBL31437076 0.77 GPR119 (0.46) GPR119HTTNR1H2NR1H3ALDH1A1
SCHEMBL21659246 0.77 HTT (0.43) RETGPR119HTTSCN9AALDH1A1
SCHEMBL17432218 0.76 GPR119 (0.51) RETGPR119HTTSCN9AALDH1A1

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 2 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-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 RET 624/4885GPR119 223/4885HTT 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.