SCHEMBL1949277

SCHEMBL1949277

O=C1CC2(CCN(C(=O)C=Cc3ccccc3C(F)(F)F)CC2)c2c(Br)cccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 4/20 0.51
NFKB1 P19838 1/20 0.45
MAOB P27338 7/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
P4HB P07237 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAOA P21397 1/20 0.36
BACE1 P56817 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
SCHEMBL1949275 1.00 GPR183 (0.51) GPR183NFKB1MAOBTRPM8P4HB
SCHEMBL1950810 0.83 GPR183 (0.50) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1950814 0.83 GPR183 (0.50) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1953456 0.81 GPR183 (0.49) GPR183NFKB1MAOBTRPM8P4HB
SCHEMBL12548156 0.80 GPR183 (0.48) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1952170 0.80 GPR183 (0.48) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1953422 0.79 MAPT (0.47) GPR183MAPTL3MBTL1RAB9A
SCHEMBL1953427 0.79 MAPT (0.47) GPR183MAPTL3MBTL1RAB9A
SCHEMBL1952309 0.77 HSD11B1 (0.53) GPR183NFKB1MAOBKEAP1NFE2L2
SCHEMBL1952348 0.77 HSD11B1 (0.53) GPR183NFKB1MAOBKEAP1NFE2L2

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 3 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

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 1003/4885MAOB 511/4885

“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.