SCHEMBL6522223

SCHEMBL6522223

COC(=O)Cc1ccc2ncc(N3CCN(C)CC3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.53
MET P08581 8/20 0.46
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTR6 P50406 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GAA P10253 2/20 0.40
ABL1 P00519 1/20 0.40
VNN1 O95497 1/20 0.40
MEN1 O00255 1/20 0.40
SLC2A1 P11166 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
AKR1C3 P42330 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
SCHEMBL12470838 0.88 MAPT (0.54) METSMN1; SMN2GAAMEN1KMT2A
SCHEMBL12470246 0.87 CNR1 (0.42) HTR3AMETPDE3BPDE3AABL1
SCHEMBL6526850 0.85 HTR3A (0.52) HTR3AMETPDE3BPDE3AHTR6
SCHEMBL12471167 0.84 FAAH (0.48) METPDE3BPDE3ASMN1; SMN2
SCHEMBL2370530 0.77 SMN1; SMN2 (0.60) SMN1; SMN2GAAKMT2ALMNAALDH1A1
SCHEMBL12470676 0.77 JAK1 (0.39) KMT2AALDH1A1MAPT
SCHEMBL12470755 0.76 HTR3A (0.52) HTR3AMETPDE3BPDE3ASMN1; SMN2
SCHEMBL12470373 0.76 MCHR1 (0.49)
SCHEMBL29589898 0.75 AGXT (0.58) SMN1; SMN2HTR6GAALMNAALDH1A1
SCHEMBL15710135 0.75 AGXT (0.58) SMN1; SMN2HTR6GAALMNAALDH1A1

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 16 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-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-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
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
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 1631/4885MET 1/4885PDE3B 1145/4885
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 HTR3A 1631/4885MET 1/4885PDE3B 1145/4885

“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.