SCHEMBL2675690

SCHEMBL2675690

CN1CCC(N2C(=O)CCc3cc(N=C(N)c4cccs4)ccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 19/20 0.72
NOS3 P29474 15/20 0.72
NOS2 P35228 13/20 0.72
CYP2D6 P10635 2/20 0.61
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
CHRM1 P11229 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
CHRM3 P20309 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR1B P28222 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
KCNH2 Q12809 1/20 0.58

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
SCHEMBL2674524 0.84 NOS1 (1.00) NOS1NOS3NOS2CYP2D6CHRM2
SCHEMBL2675955 0.82 NOS1 (0.98) NOS1NOS3NOS2CYP2D6CHRM2
SCHEMBL2675815 0.82 NOS1 (0.63) NOS1NOS3NOS2CYP2D6CHRM2
SCHEMBL2677064 0.82 NOS1 (0.98) NOS1NOS3NOS2CYP2D6CHRM2
SCHEMBL2676024 0.82 NOS1 (1.00) NOS1NOS3NOS2CYP2D6CHRM2
SCHEMBL2675890 0.80 NOS1 (0.98) NOS1NOS3NOS2CYP2D6CHRM2
SCHEMBL2675531 0.79 NOS1 (0.98) NOS1NOS3NOS2CYP2D6KCNH2
SCHEMBL2675438 0.79 NOS1 (0.98) NOS1NOS3NOS2CYP2D6CHRM2
SCHEMBL2675686 0.78 NOS1 (0.43) NOS1NOS3NOS2
SCHEMBL2674946 0.77 NOS1 (0.98) NOS1NOS3NOS2CYP2D6

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 NOS1 1/4885NOS3 3/4885NOS2 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.