SCHEMBL13315656

SCHEMBL13315656

CC(C)(C)OC(=O)N1CCC(=C(CCO)CN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.43
ALDH1A1 P00352 2/20 0.42
DTYMK P23919 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
BRD4 O60885 1/20 0.39
KMT2A Q03164 3/20 0.39
GPR119 Q8TDV5 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL13315660 0.85 NPSR1 (0.43) PDK4ALDH1A1DTYMKCHRM2CHRM4
SCHEMBL13315661 0.85 ALDH1A1 (0.46) PDK4ALDH1A1DTYMKCHRM2CHRM4
SCHEMBL13349421 0.84 PDK4 (0.46) PDK4ALDH1A1DTYMKCHRM2CHRM4
SCHEMBL3555453 0.80 CHRM2 (0.43) PDK4ALDH1A1DTYMKCHRM2CHRM4
SCHEMBL13315744 0.80 PDK4 (0.43) PDK4ALDH1A1DTYMKCHRM2CHRM4
SCHEMBL13355695 0.80 KMT2A (0.48) PDK4ALDH1A1KMT2AGPR119GAA
SCHEMBL13355682 0.80 PDK4 (0.42) PDK4ALDH1A1DTYMKCHRM2CHRM4
SCHEMBL3808232 0.80 PDK4 (0.42) PDK4ALDH1A1DTYMKCHRM2CHRM4
SCHEMBL3808236 0.80 PDK4 (0.42) PDK4ALDH1A1DTYMKCHRM2CHRM4
SCHEMBL3808231 0.80 PDK4 (0.42) PDK4ALDH1A1DTYMKCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861401-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2015-11-18 EP disclosed
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
EP-1675852-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-02-18 EP disclosed
US-7179805-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
US-7179805-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 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-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 PDK4 2423/4885ALDH1A1 1307/4885DTYMK 3240/4885

“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.