SCHEMBL26337351

SCHEMBL26337351

Cc1cnccc1CC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
HTT P42858 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
AOC1 P19801 4/20 0.37
AOC3 Q16853 4/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL11279664 0.85 SIRT3 (0.55) SIRT3TDP1CCNCCDK8HTT
SCHEMBL8746918 0.83 NAPRT (0.47) SIRT3TDP1CCNCCDK8MAPT
SCHEMBL23374480 0.81 GALR3 (0.46) SIRT3TDP1CCNCCDK8AOC1
SCHEMBL29718773 0.81 GALR3 (0.46) SIRT3TDP1CCNCCDK8AOC1
SCHEMBL1515284 0.79 CA2 (0.41) SIRT3TDP1SLC22A12OPRM1OPRL1
SCHEMBL15434658 0.79 CCNC (0.42) SIRT3TDP1CCNCCDK8ALDH1A1
SCHEMBL30416407 0.78 CCNC (0.47) SIRT3TDP1CCNCCDK8SLC22A12
SCHEMBL8580162 0.77 PKM (0.43) SIRT3TDP1KMT2A
SCHEMBL21241288 0.77 SIRT3 (0.39) SIRT3TDP1CCNCCDK8ALDH1A1
SCHEMBL19106108 0.77 SIRT3 (0.39) SIRT3TDP1SLC22A12OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 SIRT3 460/4885TDP1 2428/4885CCNC 1812/4885

“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.