SCHEMBL2675889

SCHEMBL2675889

CN(CCN1C(=O)CCc2cc(N)ccc21)C(=O)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.51
NOS1 P29475 3/20 0.42
NOS2 P35228 3/20 0.42
NOS3 P29474 2/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 3/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
ACHE P22303 1/20 0.38
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL2675214 0.84 GRIN1 (0.46) NOS1NOS2NOS3CYP2D6DRD2
SCHEMBL2675710 0.82 KDM4E (0.43) NOS1NOS2NOS3CHRM1ACHE
SCHEMBL2675307 0.81 KDM4E (0.43) NOS1NOS2NOS3CHRM1ACHE
SCHEMBL2674639 0.79 ATAD2 (0.68) ATAD2NOS1NOS2NOS3CYP2D6
SCHEMBL2674923 0.78 KDM4E (0.42) NOS1NOS3CHRM1DRD2DRD4
SCHEMBL2675820 0.77 NOS1 (0.47) NOS1NOS2NOS3CYP2D6CHRM1
SCHEMBL26621654 0.76 ATAD2 (0.46) ATAD2NOS1NOS2NOS3CYP2D6
SCHEMBL2674741 0.74 ATAD2 (0.68) ATAD2NOS1NOS2NOS3CYP2D6
SCHEMBL4113104 0.74 ATAD2 (0.64) ATAD2NOS1NOS2NOS3CYP2D6
SCHEMBL30661521 0.74 ATAD2 (0.43) ATAD2NOS1NOS2NOS3CYP2D6

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
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
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 ATAD2 1833/4885NOS1 1/4885NOS2 2/4885

“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.