SCHEMBL2676018

SCHEMBL2676018

Nc1ccc2c(c1)CCCC(=O)N2CCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.53
NOS3 P29474 3/20 0.48
NOS1 P29475 3/20 0.48
NOS2 P35228 1/20 0.47
ADRA1B P35368 2/20 0.43
HTR1A P08908 1/20 0.43
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
AHR P35869 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL2676461 0.99 ATAD2 (0.55) ATAD2NOS3NOS1NOS2ADRA1B
SCHEMBL2675486 0.93 ATAD2 (0.62) ATAD2NOS3NOS1NOS2ADRA1B
SCHEMBL2676164 0.92 ATAD2 (0.63) ATAD2NOS3NOS1NOS2ADRA1B
SCHEMBL2676270 0.86 ATAD2 (0.59) ATAD2NOS3NOS1NOS2ADRA1B
SCHEMBL2676091 0.84 ATAD2 (0.60) ATAD2NOS3NOS1NOS2ADRA1B
SCHEMBL2675626 0.82 ATAD2 (0.60) ATAD2NOS3NOS1NOS2ADRA1B
SCHEMBL31033213 0.81 DRD2 (0.56) ADRA1BALDH1A1TP53MEN1POLB
SCHEMBL2675655 0.80 GRIN1 (0.49) NOS3NOS1ADRA1BHTR1AALDH1A1
SCHEMBL2061080 0.79 ATAD2 (0.60) ATAD2MEN1POLBKMT2A
SCHEMBL2674744 0.79 ATAD2 (0.57) ATAD2NOS3NOS1NOS2HTR1A

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 ATAD2 1833/4885NOS3 3/4885NOS1 1/4885

“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.