SCHEMBL13949752

SCHEMBL13949752

[N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
TAS1R2 Q8TE23 3/20 0.46
CCR2 P41597 7/20 0.38
GAA P10253 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
MCHR1 Q99705 1/20 0.37
CES2 O00748 1/20 0.36
MLYCD O95822 1/20 0.36
HCRTR1 O43613 3/20 0.35
CNR1 P21554 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35

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
SCHEMBL13949743 0.98 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2CCR2GAA
SCHEMBL13949751 0.96 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2CCR2GAA
SCHEMBL13949750 0.83 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2CCR2GAA
SCHEMBL13949757 0.82 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2GAAADRA2A
SCHEMBL13949753 0.79 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2CCR2GAA
SCHEMBL3093182 0.74 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2CCR2GAA
SCHEMBL13156527 0.74 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2CCR2GAA
SCHEMBL13156501 0.74 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2CCR2GAA
SCHEMBL3104047 0.74 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2CCR2GAA
SCHEMBL13970411 0.74 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2CCR2

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-7799934-B2 Intermediates (synthons) in the synthesis of pharmaceuticals such as oseltamivir and other products; treating the arizidine with the nucleophile in the presence of a biaryl phosphoric acid catalyst UNIVERSITY OF SOUTH FLORIDA (US) 2010-09-21 US disclosed
US-7799934-B2 Intermediates (synthons) in the synthesis of pharmaceuticals such as oseltamivir and other products; treating the arizidine with the nucleophile in the presence of a biaryl phosphoric acid catalyst UNIVERSITY OF SOUTH FLORIDA (US) 2010-09-21 US disclosed
US-20090030212-A1 Enantioselective ring-opening of aziridines UNIVERSITY OF SOUTH FLORIDA OF TAMPA 2009-01-29 US disclosed
US-20090030212-A1 Enantioselective ring-opening of aziridines UNIVERSITY OF SOUTH FLORIDA OF TAMPA 2009-01-29 US disclosed
WO-2009005775-A2 ENANTIOSELECTIVE RING-OPENING OF AZIRIDINES UNIVERSITY OF SOUTH FLORIDA (US) 2009-01-08 WO 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-20090030212-A1 Enantioselective ring-opening of aziridines AZI2, ITPA, ADORA2A TAS1R3 4604/4885TAS1R1 4471/4885TAS1R2 4429/4885

“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.