SCHEMBL652371

SCHEMBL652371

CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
AGTR2 P50052 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
HTR2C P28335 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43

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
SCHEMBL7689008 1.00 PARP1 (0.49) PARP1AGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL3058464 0.90 CCR5 (0.51) PARP1AGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL652803 0.90 JAK2 (0.53) PARP1AGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL31229825 0.89 PARP1 (0.52) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL3605859 0.88 SMN1; SMN2 (0.50) PARP1AGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL30993456 0.88 JAK2 (0.53) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL6095209 0.88 JAK2 (0.53) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL31288410 0.88 JAK2 (0.53) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL30923126 0.85 JAK2 (0.53) PARP1AGTR2SMN1; SMN2NPC1RAB9A
SCHEMBL18452966 0.85 JAK2 (0.53) PARP1AGTR2SMN1; SMN2NPC1RAB9A

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-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 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-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 PARP1 4042/4885AGTR2 3175/4885SMN1; SMN2 71/4885

“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.