SCHEMBL5239263

SCHEMBL5239263

O=C(O)N1CCCN(c2nccnc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
TRPA1 O75762 2/20 0.39
GRIA1 P42261 1/20 0.38
PDE10A Q9Y233 1/20 0.38
SLC6A7 Q99884 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
NEK2 P51955 1/20 0.37
HSD11B1 P28845 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
SCHEMBL2331200 0.94 MALT1 (0.42) MALT1TRPA1TRPV1NEK2HSD11B1
SCHEMBL3072488 0.82 TRPA1 (0.58) CNR2MALT1TRPA1TRPV1
SCHEMBL5236520 0.81 POLB (0.55) TRPA1GRIA1PDE10ATRPV1
SCHEMBL18448582 0.81 CLK1 (0.47) CNR2GRIA1PDE10A
SCHEMBL12813877 0.79 GFER (0.44) MALT1PDE10A
SCHEMBL4313498 0.77 TRPA1 (0.37) MALT1TRPA1PDE10ATRPV1
SCHEMBL19240314 0.77 GFER (0.47) MALT1PDE10A
SCHEMBL18484147 0.77 ALDH1A1 (0.51) MALT1
SCHEMBL3075186 0.77 CNR2 (0.47) CNR2
SCHEMBL2641137 0.76 SLC29A1 (0.38) PDE10ASLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US disclosed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP disclosed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 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-20040063693-A1 Compounds HTR1A, HTR1B, HTR2C CNR2 28/4885MALT1 780/4885TRPA1 599/4885

“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.