SCHEMBL6526850

SCHEMBL6526850

CN1CCN(c2cnc3ccc(CC(=O)NN)cc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.52
AOC3 Q16853 9/20 0.48
MET P08581 5/20 0.47
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
DYRK1A Q13627 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR6 P50406 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KLKB1 P03952 1/20 0.40
MAP4K1 Q92918 1/20 0.40

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
SCHEMBL12470771 0.86 AOC3 (0.45) AOC3METPDE3BPDE3AKLKB1
SCHEMBL6522223 0.85 HTR3A (0.53) HTR3AMETPDE3BPDE3AHTR6
SCHEMBL3258364 0.76 MET (0.60) MET
SCHEMBL3163348 0.74 HDAC3 (0.43) AOC3
SCHEMBL19780343 0.74 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL2068776 0.74 AOC3 (0.60) AOC3NPC1RAB9ADRD2
SCHEMBL14793266 0.74 HTR3A (0.67) HTR3AMETPDE3BPDE3ANPC1
Hydrochloric Acid SCHEMBL1432464 0.73 AOC3 (0.58) AOC3NPC1RAB9ADRD2
SCHEMBL12470838 0.73 MAPT (0.54) METNPC1RAB9AKLKB1MAP4K1
SCHEMBL15257660 0.73 HTR3A (0.68) HTR3AMETPDE3BPDE3ANPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
CN-102574853-A Heterocyclic oxime compounds NOVARTIS AG 2012-07-11 CN disclosed
EP-2467383-A1 HETEROCYCLIC OXIME COMPOUNDS Novartis AG (CH) 2012-06-27 EP disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
WO-2011020861-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-02-24 WO disclosed
WO-2011020861-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-02-24 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 (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-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 HTR3A 1631/4885AOC3 424/4885MET 1/4885
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 HTR3A 1631/4885AOC3 424/4885MET 1/4885

“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.