SCHEMBL2676272

SCHEMBL2676272

CN(C)CCN1C(=O)CCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.72
SLC6A4 P31645 3/20 0.72
CHRM2 P08172 8/20 0.65
CHRM4 P08173 8/20 0.65
CHRM5 P08912 8/20 0.65
CHRM1 P11229 8/20 0.65
DRD2 P14416 8/20 0.65
CHRM3 P20309 8/20 0.65
DRD3 P35462 8/20 0.65
DRD4 P21917 7/20 0.65
LMNA P02545 4/20 0.65
MAPT P10636 4/20 0.65
ADRA1A P35348 3/20 0.65
ALDH1A1 P00352 2/20 0.65
SLC22A1 O15245 2/20 0.65
HTR1A P08908 2/20 0.65
ADORA3 P0DMS8 2/20 0.65
CYP2D6 P10635 2/20 0.65
ADRA2B P18089 2/20 0.65
ADRA2C P18825 2/20 0.65

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
SCHEMBL6704468 0.86 HRH1 (0.61) HRH1SLC6A4CHRM2CHRM4CHRM5
SCHEMBL17979351 0.82 DRD2 (0.69) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL30483504 0.82 DRD2 (0.69) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL21257673 0.81 HRH1 (0.56) HRH1SLC6A4CHRM2CHRM4CHRM5
SCHEMBL9690500 0.80 SMPD1 (0.63) HRH1SLC6A4CHRM2CHRM4CHRM5
SCHEMBL2674639 0.80 ATAD2 (0.68) HRH1SLC6A4CHRM2CHRM4CHRM5
SCHEMBL6200847 0.79 DRD2 (0.84) CHRM2CHRM4CHRM5CHRM1DRD2
Imipramine SCHEMBL17004048 0.79 SLC6A4 (1.00) HRH1SLC6A4CHRM2CHRM4CHRM5
Imipramine SCHEMBL6118138 0.79 SLC6A4 (1.00) HRH1SLC6A4CHRM2CHRM4CHRM5
SCHEMBL5385733 0.79 POLB (0.66) CHRM2CHRM4CHRM5CHRM1DRD2

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 HRH1 1608/4885SLC6A4 313/4885CHRM2 1409/4885

“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.