SCHEMBL12569869

SCHEMBL12569869

O=C1NCC2(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.46
NFKB1 P19838 1/20 0.45
DGAT1 O75907 1/20 0.41
MAOB P27338 7/20 0.38
BACE1 P56817 1/20 0.38
P4HB P07237 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
NPY5R Q15761 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
MAOA P21397 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CALCRL Q16602 1/20 0.35
HPGD P15428 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
SCHEMBL12548905 0.85 GPR183 (0.44) GPR183DGAT1MAPTL3MBTL1KMT2A
SCHEMBL1953443 0.81 GPR183 (0.47) GPR183NFKB1MAOBBACE1P4HB
SCHEMBL1953441 0.81 GPR183 (0.47) GPR183NFKB1MAOBBACE1P4HB
Hydrochloric Acid SCHEMBL1951182 0.80 GPR183 (0.46) GPR183NFKB1MAOBBACE1P4HB
SCHEMBL12569945 0.78 GPR183 (0.49) GPR183NFKB1MAOBBACE1P4HB
SCHEMBL1951039 0.77 GPR183 (0.47) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1951038 0.77 GPR183 (0.47) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL14723842 0.77 GPR183 (0.48) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL28905813 0.77 NFKB1 (0.71) GPR183NFKB1MAOBBACE1P4HB
SCHEMBL1949277 0.77 GPR183 (0.51) GPR183NFKB1MAOBBACE1P4HB

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 1003/4885DGAT1 768/4885

“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.