SCHEMBL12569945

SCHEMBL12569945

O=C(/C=C/c1ccccc1C(F)(F)F)N1CCC2(CC1)COc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.49
NFKB1 P19838 1/20 0.49
IDO1 P14902 4/20 0.43
AVPR1A P37288 1/20 0.42
TDO2 P48775 3/20 0.41
MAOB P27338 5/20 0.41
P4HB P07237 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
S1PR5 Q9H228 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL12548605 0.84 GPR183 (0.47) GPR183IDO1AVPR1AS1PR5MAPT
SCHEMBL29941917 0.82 RAB9A (0.54) GPR183IDO1AVPR1AS1PR5MAPT
SCHEMBL14723842 0.80 GPR183 (0.48) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL28905813 0.80 NFKB1 (0.71) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1953441 0.78 GPR183 (0.47) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL1953443 0.78 GPR183 (0.47) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL12569944 0.78 GPR183 (0.48) GPR183NFKB1AVPR1AMAOB
SCHEMBL12569869 0.78 GPR183 (0.46) GPR183NFKB1MAOBP4HBABCG2
Hydrochloric Acid SCHEMBL1951182 0.78 GPR183 (0.46) GPR183NFKB1MAOBP4HBABCG2
SCHEMBL14723840 0.78 GPR183 (0.46) 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 1003/4885IDO1 2181/4885

“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.