SCHEMBL2675672

SCHEMBL2675672

NC(=Nc1ccc2c(c1)CCCN2CCN1CCOCC1)c1cccs1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 19/20 0.82
NOS1 P29475 19/20 0.82
NOS2 P35228 7/20 0.82
KCNH2 Q12809 4/20 0.68

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
SCHEMBL2675918 0.95 NOS3 (0.84) NOS3NOS1NOS2KCNH2
Hydrochloric Acid SCHEMBL2675584 0.92 NOS3 (0.96) NOS3NOS1NOS2KCNH2
SCHEMBL2675906 0.91 NOS3 (0.98) NOS3NOS1NOS2KCNH2
SCHEMBL2677091 0.90 NOS3 (0.98) NOS3NOS1NOS2KCNH2
SCHEMBL2676562 0.88 NOS1 (1.00) NOS3NOS1NOS2
SCHEMBL2676075 0.87 NOS3 (0.98) NOS3NOS1NOS2KCNH2
SCHEMBL2675019 0.83 NOS3 (0.98) NOS3NOS1NOS2KCNH2
Hydrochloric Acid SCHEMBL2675934 0.83 NOS1 (1.00) NOS3NOS1NOS2KCNH2
SCHEMBL2676247 0.82 NOS1 (0.98) NOS3NOS1NOS2KCNH2
SCHEMBL2676868 0.82 NOS3 (0.98) NOS3NOS1NOS2KCNH2

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 5 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
CN-101679397-A Quinolone and tetrahydroquinoline having NOS inhibitory activity and related compounds NEURAXON INC 2010-03-24 CN 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
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 1/4885NOS2 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.