SCHEMBL5065276

SCHEMBL5065276

Cc1cncn1CCCN/C(=C/[N+](=O)[O-])Nc1ccc2c(c1)OCCO2

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 9/20 0.90
QPCT Q16769 11/20 0.69

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
SCHEMBL8179676 1.00 QPCTL (0.90) QPCTLQPCT
SCHEMBL3633451 1.00 QPCTL (0.90) QPCTLQPCT
SCHEMBL14012453 0.95 QPCTL (1.00) QPCTLQPCT
SCHEMBL3628261 0.95 QPCTL (1.00) QPCTLQPCT
SCHEMBL5067279 0.95 QPCTL (1.00) QPCTLQPCT
SCHEMBL8178668 0.84 QPCTL (0.75) QPCTLQPCT
SCHEMBL3629027 0.84 QPCT (0.67) QPCTLQPCT
SCHEMBL3665275 0.84 QPCT (0.67) QPCTLQPCT
SCHEMBL10144438 0.84 QPCT (0.67) QPCTLQPCT
SCHEMBL5060660 0.83 QPCTL (0.90) QPCTLQPCT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772508-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2014-07-08 US claimed
EP-2142513-B1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2014-03-12 EP claimed
US-20080292582-A1 imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2008-11-27 US claimed
US-8772508-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2014-07-08 US disclosed
EP-2142513-B1 NITROVINYL-DIAMINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2014-03-12 EP disclosed
US-20080292582-A1 imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2008-11-27 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-20080292582-A1 imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea HTT, MAPT, HYPK QPCTL 3689/4885QPCT 4555/4885

“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.