SCHEMBL12508654

SCHEMBL12508654

O=C(Nc1ccc2[nH]c(=O)oc2c1)NC1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.51
▸ TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL12508484 0.87 TRPV1 (0.53) TRPV1
SCHEMBL12508742 0.85 GRIN2D (0.48) —
SCHEMBL12508735 0.85 GRIN2D (0.50) —
SCHEMBL12508247 0.84 GRIN2D (0.49) —
SCHEMBL12508946 0.84 GRIN2D (0.47) —
SCHEMBL12508245 0.83 GRIN2D (0.42) —
SCHEMBL4016622 0.82 EPHX2 (0.72) EPHX2TRPV1
SCHEMBL12508257 0.81 GRIN2D (0.56) —
SCHEMBL12508655 0.81 GRIN2D (0.42) —
SCHEMBL12508777 0.80 ENPP2 (0.59) —

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 5 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

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 EPHX2 1967/4885TRPV1 1332/4885
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 EPHX2 1967/4885TRPV1 1332/4885

“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.

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