SCHEMBL12569866

SCHEMBL12569866

O=C1Nc2ccccc2C2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 1/20 0.47
▸ NFKB1 P19838 1/20 0.46
▸ PDE7A Q13946 2/20 0.44
▸ PLD1 Q13393 1/20 0.41
▸ MAOB P27338 6/20 0.39
▸ P4HB P07237 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ CRBN Q96SW2 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KEAP1 Q14145 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL12548597 0.85 PDE7A (0.47) GPR183PDE7APLD1CRBNMAPT
SCHEMBL1953164 0.83 GPR183 (0.46) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1953162 0.83 GPR183 (0.46) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL12569868 0.81 MAPT (0.48) GPR183NFKB1PLD1MAOBP4HB
SCHEMBL14723852 0.80 GPR183 (0.46) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL28905813 0.78 NFKB1 (0.71) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1952772 0.77 GPR183 (0.46) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1952771 0.77 GPR183 (0.46) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL12569927 0.77 GPR183 (0.44) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1950810 0.77 GPR183 (0.50) GPR183NFKB1MAOBP4HBABCG2

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 1003/4885PDE7A 474/4885

“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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