SCHEMBL12508951

SCHEMBL12508951

O=C(CC1CCN(c2ccc(F)cc2)CC1)Nc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.61
GRIN3B O60391 2/20 0.61
GRIN1 Q05586 2/20 0.61
GRIN2A Q12879 2/20 0.61
GRIN2B Q13224 2/20 0.61
GRIN2C Q14957 2/20 0.61
GRIN3A Q8TCU5 2/20 0.61
ENPP2 Q13822 1/20 0.49
DEGS1 O15121 1/20 0.49

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
SCHEMBL12508657 0.91 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508735 0.91 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508678 0.91 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508744 0.90 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508676 0.88 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508553 0.88 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508882 0.87 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508875 0.87 EPHX2 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508986 0.87 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12508868 0.87 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20110172415-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2011-07-14 US disclosed
US-7935706-B2 Nitrogen-containing heterocycle derivatives substituted with cyclic group SHIONOGI & CO., LTD. (JP) 2011-05-03 US disclosed
US-7935706-B2 Nitrogen-containing heterocycle derivatives substituted with cyclic group SHIONOGI & CO., LTD. (JP) 2011-05-03 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
EP-1988077-A1 NIROGENOUS HETEROCYCLIC DERIVATIVES SUBSTITUTED WITH CYCLIC GROUPS SHIONOGI & CO., LTD. (JP) 2008-11-05 EP 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 (2 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-20110172415-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 GRIN2D 91/4885GRIN3B 63/4885GRIN1 23/4885
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 GRIN2D 91/4885GRIN3B 63/4885GRIN1 23/4885

“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.