SCHEMBL4113104

SCHEMBL4113104

CN(C)CCCN1C(=O)CCc2cc(N)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.64
NOS1 P29475 2/20 0.55
NOS2 P35228 2/20 0.55
SLC6A4 P31645 6/20 0.52
HRH1 P35367 4/20 0.52
CHRM1 P11229 4/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
CYP2D6 P10635 3/20 0.52
CHRM2 P08172 3/20 0.52
CHRM4 P08173 3/20 0.52
CHRM5 P08912 3/20 0.52
DRD2 P14416 3/20 0.52
CHRM3 P20309 3/20 0.52
DRD3 P35462 3/20 0.52
SLC22A1 O15245 2/20 0.52
HTR1A P08908 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52

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
SCHEMBL2674639 0.92 ATAD2 (0.68) ATAD2NOS1NOS2SLC6A4HRH1
SCHEMBL14049722 0.88 ATAD2 (0.59) ATAD2NOS1NOS2SLC6A4HRH1
SCHEMBL2676076 0.87 ATAD2 (0.65) ATAD2NOS1NOS2SLC6A4HRH1
SCHEMBL2791880 0.87 ATAD2 (0.50) ATAD2NOS1NOS2SLC6A4HRH1
SCHEMBL2674744 0.84 ATAD2 (0.57) ATAD2NOS1NOS2SLC6A4HRH1
SCHEMBL14049720 0.82 ATAD2 (0.65) ATAD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL16453538 0.82 ATAD2 (0.78) ATAD2NOS1NOS2CHRM1CYP2D6
SCHEMBL2674741 0.82 ATAD2 (0.68) ATAD2NOS1NOS2CHRM1CYP2D6
SCHEMBL2675638 0.80 GRIN1 (0.54) NOS1NOS2SLC6A4HRH1CHRM1
SCHEMBL8510313 0.80 ATAD2 (0.50) ATAD2NOS1NOS2SLC6A4HRH1

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
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

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.