SCHEMBL2676172

SCHEMBL2676172

Nc1ccc2c(c1)CCCCN2CCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.51
NOS1 P29475 5/20 0.51
NOS2 P35228 3/20 0.51
HRH3 Q9Y5N1 2/20 0.45
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
SMAD3 P84022 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
ESRRG P62508 2/20 0.40

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
SCHEMBL2675568 0.98 NOS3 (0.52) NOS3NOS1NOS2HRH3ALDH1A1
SCHEMBL2674715 0.97 NOS3 (0.48) NOS3NOS1NOS2HRH3ALDH1A1
SCHEMBL4119323 0.92 NOS3 (0.51) NOS3NOS1NOS2HRH3ALDH1A1
SCHEMBL2675709 0.88 NOS3 (0.53) NOS3NOS1NOS2HRH3ALDH1A1
SCHEMBL2676068 0.87 GAA (0.43) NOS3NOS1NOS2HRH3ALDH1A1
SCHEMBL17525507 0.86 NOS3 (0.43) NOS3NOS1NOS2HRH3ALDH1A1
SCHEMBL15037988 0.85 HRH3 (0.48) NOS3NOS1NOS2HRH3ALDH1A1
SCHEMBL15037989 0.84 HRH3 (0.50) NOS3NOS1NOS2HRH3ALDH1A1
SCHEMBL29167508 0.82 MAPT (0.45) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL2675841 0.81 NOS3 (0.53) NOS3NOS1NOS2HRH3ALDH1A1

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 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.