SCHEMBL320336

SCHEMBL320336

CN(C)CCc1ccncc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.47
CHRNA7 P36544 1/20 0.44
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL12343951 0.81 ALDH1A1 (0.46) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL11977730 0.78 HCAR3 (0.44) CHRNA7ALDH1A1HTTGAARAB9A
SCHEMBL27608929 0.78 ALDH1A1 (0.44) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL1982550 0.78 ALDH1A1 (0.44) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL30545210 0.77 TAAR1 (0.36) HTR6ALDH1A1GAAMAPTSIGMAR1
SCHEMBL7262800 0.76 ALDH1A1 (0.60) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL5115689 0.76 ALDH1A1 (0.45) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL4664879 0.76 ALDH1A1 (0.45) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL14705521 0.76 ALDH1A1 (0.45) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL13566166 0.75 ALDH1A1 (0.42) ALDH1A1HTTGAARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B HTR6 4391/4885CHRNA7 3796/4885ALDH1A1 2437/4885

“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.