SCHEMBL2675656

SCHEMBL2675656

CN1CCCC1CCN1C(=O)CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
CHRNB4 P30926 9/20 0.47
CHRNA3 P32297 9/20 0.47
ACHE P22303 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 1/20 0.44
OPRM1 P35372 1/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB3 Q05901 1/20 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
SCHEMBL2675495 0.95 NOS3 (0.48) NOS3NOS1GRIN1GRIN2BCHRNB4
SCHEMBL2674975 0.82 NOS3 (0.58) NOS3NOS1CHRNB2CHRNA4OPRM1
SCHEMBL499512 0.81 NOS3 (0.55) NOS3NOS1CHRNB4CHRNA3ACHE
SCHEMBL27778432 0.79 CHRNB4 (0.48) CHRNB4CHRNA3ACHECHRNB2CHRNA4
SCHEMBL20162398 0.79 GRIN1 (0.54) GRIN1GRIN2BACHEDRD2DRD4
SCHEMBL2675472 0.78 GRIN1 (0.56) NOS3NOS1GRIN1GRIN2BDRD2
SCHEMBL18421420 0.78 GRIN1 (0.51) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2675181 0.78 GRIN1 (0.55) NOS3NOS1GRIN1GRIN2BDRD2
SCHEMBL14049826 0.77 GRIN1 (0.57) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2675010 0.77 NOS3 (0.53) NOS3NOS1CHRNB2CHRNA4OPRM1

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
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
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 1/4885GRIN1 133/4885

“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.