SCHEMBL2675439

SCHEMBL2675439

CN(C)CCN1C(=O)CCCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
CASP6 P55212 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
PABPC1 P11940 1/20 0.42
FTO Q9C0B1 1/20 0.42
CYP2D6 P10635 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
HTR1A P08908 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
SLC6A4 P31645 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL2675597 0.93 GRIN1 (0.51) KDM4EPOLBAPEX1CASP6CTDSP1
SCHEMBL2675638 0.86 GRIN1 (0.54) KDM4EGRIN1GRIN2BSIRT2CYP2D6
SCHEMBL2061766 0.83 POLB (0.47) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL2791880 0.83 ATAD2 (0.50) KDM4EPOLBAPEX1CASP6CTDSP1
SCHEMBL2796524 0.82 GRIN1 (0.50) KDM4EPOLBAPEX1CASP6CTDSP1
SCHEMBL2791279 0.81 GRIN1 (0.50) KDM4EGRIN1GRIN2BSIRT2CYP2D6
SCHEMBL2675072 0.81 NOS3 (0.49) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL2675655 0.81 GRIN1 (0.49) KDM4EPOLBAPEX1CASP6CTDSP1
SCHEMBL2674973 0.81 ALDH1A1 (0.47) KDM4ESIRT2CYP2D6NOS3NOS1
SCHEMBL2674744 0.80 ATAD2 (0.57) KDM4EFTOCYP2D6NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
EP-2139886-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2010-01-06 EP disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 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-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 KDM4E 1823/4885POLB 3183/4885APEX1 1184/4885

“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.