SCHEMBL12569942

SCHEMBL12569942

CC(C)(O)c1ccc2c(c1)NC(=O)C21CCN(C(=O)/C=C/c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 1/20 0.42
▸ NFKB1 P19838 1/20 0.41
▸ KEAP1 Q14145 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ NR3C2 P08235 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ ITGAL P20701 2/20 0.35
▸ MAOB P27338 8/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ P4HB P07237 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL12548903 0.88 GPR183 (0.40) GPR183NR3C2CYP3A4CYP2D6CYP2C9
SCHEMBL13689925 0.86 IP6K1 (0.45) GPR183NFKB1KEAP1NFE2L2NR3C2
SCHEMBL12569927 0.83 GPR183 (0.44) GPR183NFKB1KEAP1NFE2L2ITGAL
SCHEMBL1952829 0.82 GPR183 (0.45) GPR183NFKB1NR3C2CYP3A4CYP2D6
SCHEMBL1952831 0.82 GPR183 (0.45) GPR183NFKB1NR3C2CYP3A4CYP2D6
SCHEMBL12569871 0.81 GPR183 (0.46) GPR183NFKB1KEAP1NFE2L2MAOB
SCHEMBL1953458 0.79 IP6K1 (0.43) GPR183NFKB1KEAP1NFE2L2ITGAL
SCHEMBL1953454 0.79 IP6K1 (0.43) GPR183NFKB1KEAP1NFE2L2ITGAL
SCHEMBL1952771 0.78 GPR183 (0.46) GPR183NFKB1KEAP1NFE2L2ITGAL
SCHEMBL1952772 0.78 GPR183 (0.46) GPR183NFKB1KEAP1NFE2L2ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 — — EP disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 — — US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 — — US disclosed
WO-2009108332-A1 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-03 — — WO 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-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 HSD11B1, HSD17B1, HSD3B1 GPR183 1523/4885NFKB1 1003/4885KEAP1 843/4885

“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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