SCHEMBL2675253

SCHEMBL2675253

CC(Br)C(=O)N(c1ccccc1)C1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.55
CHRM3 P20309 3/20 0.48
CHRM1 P11229 2/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
OPRL1 P41146 1/20 0.47
OPRD1 P41143 5/20 0.46
OPRK1 P41145 5/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
SIGMAR1 Q99720 2/20 0.46
SLC22A1 O15245 1/20 0.46
NR1I2 O75469 1/20 0.46
ABCB1 P08183 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
MAOA P21397 1/20 0.46
DRD4 P21917 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL2778036 0.82 OPRM1 (0.49) OPRM1CHRM3CHRM1CHRM4CHRM5
SCHEMBL4753533 0.82 CHRM3 (0.58) OPRM1CHRM3CHRM1CHRM4CHRM5
SCHEMBL5164451 0.77 OPRM1 (0.72) OPRM1CHRM3CHRM1OPRL1OPRD1
SCHEMBL14507949 0.74 CHRM3 (0.53) OPRM1CHRM3CHRM1OPRL1OPRD1
SCHEMBL18623775 0.73 OPRM1 (0.83) OPRM1CHRM3CHRM1OPRD1OPRK1
SCHEMBL23033382 0.71 OPRM1 (0.49) OPRM1CHRM3CHRM1CHRM4CHRM5
SCHEMBL11576213 0.70 OPRM1 (0.61) OPRM1CHRM3CHRM1CHRM4CHRM5
SCHEMBL5326160 0.70 OPRD1 (0.57) OPRM1CHRM3CHRM1OPRD1OPRK1
SCHEMBL30110586 0.70 OPRM1 (0.56) OPRM1CHRM3CHRM1OPRD1OPRK1
SCHEMBL12223773 0.70 HTR2A (0.51) OPRM1CHRM3CHRM1CHRM4CHRM5

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 10 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
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
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 OPRM1 779/4885CHRM3 915/4885CHRM1 850/4885

“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.