SCHEMBL2675495

SCHEMBL2675495

CN1CCCC1CCN1C(=O)CCCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
CHRNB4 P30926 9/20 0.47
CHRNA3 P32297 9/20 0.47
ACHE P22303 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 1/20 0.42
CHRM3 P20309 1/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 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
SCHEMBL2675656 0.95 NOS3 (0.53) NOS3NOS1CHRNB4CHRNA3ACHE
SCHEMBL2675010 0.83 NOS3 (0.53) NOS3NOS1CHRNB2CHRNA4OPRM1
SCHEMBL499512 0.80 NOS3 (0.55) NOS3NOS1CHRNB4CHRNA3ACHE
SCHEMBL2061766 0.80 POLB (0.47) GRIN1GRIN2BPOLBAPEX1CASP6
SCHEMBL2796524 0.79 GRIN1 (0.50) NOS3NOS1GRIN1GRIN2BPOLB
SCHEMBL27778432 0.78 CHRNB4 (0.48) CHRNB4CHRNA3ACHECHRNB2CHRNA4
SCHEMBL2675439 0.78 KDM4E (0.47) NOS3NOS1GRIN1GRIN2BPOLB
SCHEMBL2675655 0.78 GRIN1 (0.49) NOS3NOS1GRIN1GRIN2BPOLB
SCHEMBL2674975 0.77 NOS3 (0.58) NOS3NOS1CHRNB2CHRNA4OPRM1
SCHEMBL17525737 0.75 CYP1A2 (0.47) NOS3NOS1POLBDRD2HTR2A

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 8 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
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 NOS3 3/4885NOS1 1/4885CHRNB4 200/4885

“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.