SCHEMBL4569949

SCHEMBL4569949

CC(C)c1ccnc(COC(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 19/20 0.40
▸ GRIN1 Q05586 19/20 0.40
▸ GRIN2B Q13224 19/20 0.40
▸ CHRNA7 P36544 1/20 0.35

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
SCHEMBL11994362 0.81 RXRA (0.40) RXRAGRIN1GRIN2BCHRNA7
SCHEMBL4569948 0.79 RXRA (0.39) RXRAGRIN1GRIN2BCHRNA7
SCHEMBL10175736 0.77 RXRA (0.40) RXRAGRIN1GRIN2BCHRNA7
SCHEMBL11994370 0.74 CYP1A2 (0.46) RXRAGRIN1GRIN2BCHRNA7
SCHEMBL12394763 0.74 HRH4 (0.40) RXRAGRIN1GRIN2B
SCHEMBL21705891 0.73 RXRA (0.35) RXRAGRIN1GRIN2BCHRNA7
SCHEMBL12120617 0.73 RXRA (0.35) RXRAGRIN1GRIN2BCHRNA7
SCHEMBL5108681 0.73 JAK2 (0.46) RXRAGRIN1GRIN2BCHRNA7
SCHEMBL3507581 0.73 TLR9 (0.38) RXRAGRIN1GRIN2BCHRNA7
SCHEMBL18542888 0.73 RXRA (0.35) RXRAGRIN1GRIN2BCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122679-A1 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-17 — — 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-20120122679-A1 MESOIONIC PESTICIDES CHRM2, CHRM5, CHRM1 RXRA 189/4885GRIN1 141/4885GRIN2B 196/4885

“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.

Send feedback