SCHEMBL2675472

SCHEMBL2675472

O=C1CCc2cc([N+](=O)[O-])ccc2N1CCN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.56
GRIN2B Q13224 1/20 0.56
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
ADRA1B P35368 1/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
PABPC1 P11940 1/20 0.46
S1PR1 P21453 1/20 0.46
HTT P42858 1/20 0.46
RAD52 P43351 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL2675181 0.99 GRIN1 (0.55) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2796524 0.94 GRIN1 (0.50) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2675655 0.93 GRIN1 (0.49) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2675228 0.93 GRIN1 (0.62) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2675718 0.92 GRIN1 (0.61) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2674941 0.90 GRIN1 (0.54) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2792949 0.88 GRIN1 (0.57) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2792679 0.87 GRIN1 (0.56) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2791541 0.87 GRIN1 (0.56) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2675564 0.85 GRIN1 (0.59) GRIN1GRIN2BDRD2DRD4DRD3

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 GRIN1 133/4885GRIN2B 320/4885DRD2 2190/4885

“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.